N-[(3R)-1-cyanopyrrolidin-3-yl]-3-methoxy-4-(2-morpholin-4-yl-4-pyridinyl)benzamide

C22H25N5O3 — CID 122590880

IUPACN-[(3R)-1-cyanopyrrolidin-3-yl]-3-methoxy-4-(2-morpholin-4-yl-4-pyridinyl)benzamide
SMILESCOc1cc(C(=O)N[C@@H]2CCN(C#N)C2)ccc1-c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C22H25N5O3/c1-29-20-12-17(22(28)25-18-5-7-26(14-18)15-23)2-3-19(20)16-4-6-24-21(13-16)27-8-10-30-11-9-27/h2-4,6,12-13,18H,5,7-11,14H2,1H3,(H,25,28)/t18-/m1/s1
InChIKeyPVTURUFYCWXEGM-GOSISDBHSA-N
MW407.47 g/mol
LogP1.88
Rot. Bonds5

About N-[(3R)-1-cyanopyrrolidin-3-yl]-3-methoxy-4-(2-morpholin-4-yl-4-pyridinyl)benzamide

N-[(3R)-1-cyanopyrrolidin-3-yl]-3-methoxy-4-(2-morpholin-4-yl-4-pyridinyl)benzamide (PubChem CID 122590880) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[(3R)-1-cyanopyrrolidin-3-yl]-3-methoxy-4-(2-morpholin-4-yl-4-pyridinyl)benzamide.

Molecular Properties

Compound NameN-[(3R)-1-cyanopyrrolidin-3-yl]-3-methoxy-4-(2-morpholin-4-yl-4-pyridinyl)benzamide
PubChem CID122590880
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC NameN-[(3R)-1-cyanopyrrolidin-3-yl]-3-methoxy-4-(2-morpholin-4-yl-4-pyridinyl)benzamide
SMILESCOc1cc(C(=O)N[C@@H]2CCN(C#N)C2)ccc1-c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C22H25N5O3/c1-29-20-12-17(22(28)25-18-5-7-26(14-18)15-23)2-3-19(20)16-4-6-24-21(13-16)27-8-10-30-11-9-27/h2-4,6,12-13,18H,5,7-11,14H2,1H3,(H,25,28)/t18-/m1/s1
InChIKeyPVTURUFYCWXEGM-GOSISDBHSA-N
XLogP1.88
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze N-[(3R)-1-cyanopyrrolidin-3-yl]-3-methoxy-4-(2-morpholin-4-yl-4-pyridinyl)benzamide 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

3-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 10783358
3-[3-oxo-7-[[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 67334013
N-(2-(4-(3-cyanopyridin-2-yl)piperazin-1-yl)ethyl)-3-methoxybenzamide
CID 49788869
(3-Methoxy-phenyl)-(4-pyridin-2-yl-piperazin-1-yl)-methanone
CID 790124
[4-[6-Amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]phenyl]-morpholino-methanone
CID 53312150
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N-(2-morpholinoethyl)benzamide
CID 53312237
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 53312321
1-(3,5-Dimethyl-4-methoxybenzoyl)-4-[3-[(1-methylethyl)amino]-2-pyridinyl]piperazine
CID 455376
N-Benzyl-6-[(3-Endo)-3-{[(3-Methoxy-2-Methylphenyl)carbonyl]amino}-8-Azabicyclo[3.2.1]oct-8-Yl]pyridine-3-Carboxamide
CID 60147025
3-(6-(3-(dimethylamino)pyrrolidin-1-yl)pyridin-3-yl)-7-(4-methoxyphenyl)-4H-chromen-4-one
CID 16043291
3-[7-[[4-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156014087
2-[4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 156016966

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-3-methoxy-4-(2-morpholin-4-yl-4-pyridinyl)benzamide?
The IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-3-methoxy-4-(2-morpholin-4-yl-4-pyridinyl)benzamide (CID 122590880) is N-[(3R)-1-cyanopyrrolidin-3-yl]-3-methoxy-4-(2-morpholin-4-yl-4-pyridinyl)benzamide.
What is the SMILES notation for N-[(3R)-1-cyanopyrrolidin-3-yl]-3-methoxy-4-(2-morpholin-4-yl-4-pyridinyl)benzamide?
The canonical SMILES for N-[(3R)-1-cyanopyrrolidin-3-yl]-3-methoxy-4-(2-morpholin-4-yl-4-pyridinyl)benzamide is COc1cc(C(=O)N[C@@H]2CCN(C#N)C2)ccc1-c1ccnc(N2CCOCC2)c1.
What is the InChIKey of N-[(3R)-1-cyanopyrrolidin-3-yl]-3-methoxy-4-(2-morpholin-4-yl-4-pyridinyl)benzamide?
The InChIKey is PVTURUFYCWXEGM-GOSISDBHSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-29-20-12-17(22(28)25-18-5-7-26(14-18)15-23)2-3-19(20)16-4-6-24-21(13-16)27-8-10-30-11-9-27/h2-4,6,12-13,18H,5,7-11,14H2,1H3,(H,25,28)/t18-/m1/s1.
What are the key properties of N-[(3R)-1-cyanopyrrolidin-3-yl]-3-methoxy-4-(2-morpholin-4-yl-4-pyridinyl)benzamide?
N-[(3R)-1-cyanopyrrolidin-3-yl]-3-methoxy-4-(2-morpholin-4-yl-4-pyridinyl)benzamide has a molecular weight of 407.47 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cyanopyrrolidin-3-yl]-3-methoxy-4-(2-morpholin-4-yl-4-pyridinyl)benzamide is sourced from PubChem (CID 122590880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).