(Z)-3-amino-N'-[4-(3-cyanopyrrolidin-3-yl)-3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]prop-2-enimidamide

C19H26N8O — CID 166527558

IUPAC(Z)-3-amino-N'-[4-(3-cyanopyrrolidin-3-yl)-3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]prop-2-enimidamide
SMILES[H]/N=C/c1c(C2(C#N)CCNC2)cc(N2CCOC[C@H]2C)nc1/N=C(N)\C=C/N
InChIInChI=1S/C19H26N8O/c1-13-10-28-7-6-27(13)17-8-15(19(11-22)3-5-24-12-19)14(9-21)18(26-17)25-16(23)2-4-20/h2,4,8-9,13,21,24H,3,5-7,10,12,20H2,1H3,(H2,23,25,26)/b4-2-,21-9+/t13-,19?/m1/s1
InChIKeyRXLZPWTZNDUGHC-XAJSILPFSA-N
MW382.47 g/mol
LogP0.52
Rot. Bonds5

About (Z)-3-amino-N'-[4-(3-cyanopyrrolidin-3-yl)-3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]prop-2-enimidamide

(Z)-3-amino-N'-[4-(3-cyanopyrrolidin-3-yl)-3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]prop-2-enimidamide (PubChem CID 166527558) has the molecular formula C19H26N8O and a molecular weight of 382.47 g/mol. Its IUPAC name is (Z)-3-amino-N'-[4-(3-cyanopyrrolidin-3-yl)-3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]prop-2-enimidamide.

Molecular Properties

Compound Name(Z)-3-amino-N'-[4-(3-cyanopyrrolidin-3-yl)-3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]prop-2-enimidamide
PubChem CID166527558
Molecular FormulaC19H26N8O
Molecular Weight382.47 g/mol
Exact Mass382.22
IUPAC Name(Z)-3-amino-N'-[4-(3-cyanopyrrolidin-3-yl)-3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]prop-2-enimidamide
SMILES[H]/N=C/c1c(C2(C#N)CCNC2)cc(N2CCOC[C@H]2C)nc1/N=C(N)\C=C/N
InChIInChI=1S/C19H26N8O/c1-13-10-28-7-6-27(13)17-8-15(19(11-22)3-5-24-12-19)14(9-21)18(26-17)25-16(23)2-4-20/h2,4,8-9,13,21,24H,3,5-7,10,12,20H2,1H3,(H2,23,25,26)/b4-2-,21-9+/t13-,19?/m1/s1
InChIKeyRXLZPWTZNDUGHC-XAJSILPFSA-N
XLogP0.52
TPSA149.43 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 50.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (Z)-3-amino-N'-[4-(3-cyanopyrrolidin-3-yl)-3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]prop-2-enimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-3-amino-N'-[4-(4-cyanooxan-4-yl)-3-methanimidoyl-6-morpholin-4-yl-2-pyridinyl]prop-2-enimidamide
CID 155585727
3-[6-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-b]pyridin-4-yl]pyrrolidine-3-carbonitrile
CID 167213113
4-[3-chloro-5-[(3R)-3-methylmorpholin-4-yl]-2H-[1,3]thiazolo[4,5-b]pyridin-7-yl]oxane-4-carbonitrile
CID 169061211
4-[4-hydroxy-4-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]cyclohexyl]but-3-yn-2-one
CID 176647407
4-ethynyl-1-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]cyclohex-3-en-1-ol
CID 176647554
(Z)-3-amino-N'-[4-(2-cyanopropan-2-yl)-6-morpholin-4-yl-3-prop-2-enimidoyl-2-pyridinyl]prop-2-enimidamide
CID 155585621
1-[1-(1-amino-3-iminoprop-1-enyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrazolo[5,4-b]pyridin-4-yl]cyclohexane-1-carboxamide
CID 174025535
1-(4-chlorophenyl)-4-[3-methanimidoyl-6-(3-methylmorpholin-4-yl)-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]piperidin-4-ol
CID 165400517
4-[2-[[(1E,3E)-1-amino-4-methylhexa-1,3-dienyl]amino]-6-(3-methylmorpholin-4-yl)pyrimidin-4-yl]oxane-4-carbonitrile
CID 166928421
2-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]-2-methylpropanenitrile
CID 155585674
4-[2-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]ethynyl]-1,1-dioxothian-4-ol
CID 176647796
(Z)-3-imino-1-[2-(3-methylmorpholin-4-yl)-4-(1-methylsulfanylcyclopropyl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine
CID 145012198

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-N'-[4-(3-cyanopyrrolidin-3-yl)-3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]prop-2-enimidamide?
The IUPAC name of (Z)-3-amino-N'-[4-(3-cyanopyrrolidin-3-yl)-3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]prop-2-enimidamide (CID 166527558) is (Z)-3-amino-N'-[4-(3-cyanopyrrolidin-3-yl)-3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]prop-2-enimidamide.
What is the SMILES notation for (Z)-3-amino-N'-[4-(3-cyanopyrrolidin-3-yl)-3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]prop-2-enimidamide?
The canonical SMILES for (Z)-3-amino-N'-[4-(3-cyanopyrrolidin-3-yl)-3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]prop-2-enimidamide is [H]/N=C/c1c(C2(C#N)CCNC2)cc(N2CCOC[C@H]2C)nc1/N=C(N)\C=C/N.
What is the InChIKey of (Z)-3-amino-N'-[4-(3-cyanopyrrolidin-3-yl)-3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]prop-2-enimidamide?
The InChIKey is RXLZPWTZNDUGHC-XAJSILPFSA-N. The full InChI is InChI=1S/C19H26N8O/c1-13-10-28-7-6-27(13)17-8-15(19(11-22)3-5-24-12-19)14(9-21)18(26-17)25-16(23)2-4-20/h2,4,8-9,13,21,24H,3,5-7,10,12,20H2,1H3,(H2,23,25,26)/b4-2-,21-9+/t13-,19?/m1/s1.
What are the key properties of (Z)-3-amino-N'-[4-(3-cyanopyrrolidin-3-yl)-3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]prop-2-enimidamide?
(Z)-3-amino-N'-[4-(3-cyanopyrrolidin-3-yl)-3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]prop-2-enimidamide has a molecular weight of 382.47 g/mol, XLogP of 0.52, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-N'-[4-(3-cyanopyrrolidin-3-yl)-3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]prop-2-enimidamide is sourced from PubChem (CID 166527558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).