(E)-2-amino-3-chloro-4-imino-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]pent-2-enamide

C14H18ClN5O2 — CID 145452915

IUPAC(E)-2-amino-3-chloro-4-imino-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]pent-2-enamide
SMILES[H]/N=C(C)/C(Cl)=C(\N)C(=O)Nc1ccc([C@@H]2CNCCO2)nc1
InChIInChI=1S/C14H18ClN5O2/c1-8(16)12(15)13(17)14(21)20-9-2-3-10(19-6-9)11-7-18-4-5-22-11/h2-3,6,11,16,18H,4-5,7,17H2,1H3,(H,20,21)/b13-12+,16-8+/t11-/m0/s1
InChIKeyNUVWHYYXNQLFEM-IULXWZEGSA-N
MW323.78 g/mol
LogP1.13
Rot. Bonds4

About (E)-2-amino-3-chloro-4-imino-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]pent-2-enamide

(E)-2-amino-3-chloro-4-imino-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]pent-2-enamide (PubChem CID 145452915) has the molecular formula C14H18ClN5O2 and a molecular weight of 323.78 g/mol. Its IUPAC name is (E)-2-amino-3-chloro-4-imino-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]pent-2-enamide.

Molecular Properties

Compound Name(E)-2-amino-3-chloro-4-imino-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]pent-2-enamide
PubChem CID145452915
Molecular FormulaC14H18ClN5O2
Molecular Weight323.78 g/mol
Exact Mass323.11
IUPAC Name(E)-2-amino-3-chloro-4-imino-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]pent-2-enamide
SMILES[H]/N=C(C)/C(Cl)=C(\N)C(=O)Nc1ccc([C@@H]2CNCCO2)nc1
InChIInChI=1S/C14H18ClN5O2/c1-8(16)12(15)13(17)14(21)20-9-2-3-10(19-6-9)11-7-18-4-5-22-11/h2-3,6,11,16,18H,4-5,7,17H2,1H3,(H,20,21)/b13-12+,16-8+/t11-/m0/s1
InChIKeyNUVWHYYXNQLFEM-IULXWZEGSA-N
XLogP1.13
TPSA113.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-2-amino-3-chloro-4-imino-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]pent-2-enamide with MolForge

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Launch Full Analysis

Related Compounds

4-chloro-5-methyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide
CID 118484454
4-methyl-N-(6-morpholin-2-yl-3-pyridinyl)benzamide
CID 123703173
4-methyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]benzamide
CID 144953548
5-amino-4-chloro-3-imino-1-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]oct-4-en-2-one
CID 159725830
5-amino-4-chloro-3-imino-1-(6-morpholin-2-yl-3-pyridinyl)oct-4-en-2-one
CID 159725831
4-methyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-5-carboxamide
CID 118484432
5-amino-3-imino-4-methyl-1-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]hept-4-en-2-one
CID 152948224
5-ethyl-4-fluoro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide
CID 118485076
5-butyl-4-fluoro-N-(6-morpholin-2-yl-3-pyridinyl)-1H-pyrazole-3-carboxamide
CID 118484989
4-chloro-3-ethoxy-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-5-carboxamide;4-chloro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethoxy)-1H-pyrazole-5-carboxamide
CID 158235252
ethyl (E)-3-amino-2-chloro-4-[4-[(2S,6R)-6-methylmorpholin-2-yl]anilino]-4-oxobut-2-enimidate
CID 145006177
1-(4-chloro-5-propan-2-yl-1H-pyrazol-3-yl)-2-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]ethanone
CID 159544218

Frequently Asked Questions

What is the IUPAC name of (E)-2-amino-3-chloro-4-imino-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]pent-2-enamide?
The IUPAC name of (E)-2-amino-3-chloro-4-imino-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]pent-2-enamide (CID 145452915) is (E)-2-amino-3-chloro-4-imino-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]pent-2-enamide.
What is the SMILES notation for (E)-2-amino-3-chloro-4-imino-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]pent-2-enamide?
The canonical SMILES for (E)-2-amino-3-chloro-4-imino-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]pent-2-enamide is [H]/N=C(C)/C(Cl)=C(\N)C(=O)Nc1ccc([C@@H]2CNCCO2)nc1.
What is the InChIKey of (E)-2-amino-3-chloro-4-imino-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]pent-2-enamide?
The InChIKey is NUVWHYYXNQLFEM-IULXWZEGSA-N. The full InChI is InChI=1S/C14H18ClN5O2/c1-8(16)12(15)13(17)14(21)20-9-2-3-10(19-6-9)11-7-18-4-5-22-11/h2-3,6,11,16,18H,4-5,7,17H2,1H3,(H,20,21)/b13-12+,16-8+/t11-/m0/s1.
What are the key properties of (E)-2-amino-3-chloro-4-imino-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]pent-2-enamide?
(E)-2-amino-3-chloro-4-imino-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]pent-2-enamide has a molecular weight of 323.78 g/mol, XLogP of 1.13, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-amino-3-chloro-4-imino-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]pent-2-enamide is sourced from PubChem (CID 145452915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).