3-amino-N-[(4-chloro-2-pyridinyl)methyl]-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]pyrazine-2-carboxamide

C17H18ClN5O2 — CID 145085853

IUPAC3-amino-N-[(4-chloro-2-pyridinyl)methyl]-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]pyrazine-2-carboxamide
SMILESC=C(O/C=C\C)c1nc(N)c(C(=O)NCc2cc(Cl)ccn2)nc1C
InChIInChI=1S/C17H18ClN5O2/c1-4-7-25-11(3)14-10(2)22-15(16(19)23-14)17(24)21-9-13-8-12(18)5-6-20-13/h4-8H,3,9H2,1-2H3,(H2,19,23)(H,21,24)/b7-4-
InChIKeyNUVYBAJZOLXJEO-DAXSKMNVSA-N
MW359.82 g/mol
LogP2.87
Rot. Bonds6

About 3-amino-N-[(4-chloro-2-pyridinyl)methyl]-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]pyrazine-2-carboxamide

3-amino-N-[(4-chloro-2-pyridinyl)methyl]-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]pyrazine-2-carboxamide (PubChem CID 145085853) has the molecular formula C17H18ClN5O2 and a molecular weight of 359.82 g/mol. Its IUPAC name is 3-amino-N-[(4-chloro-2-pyridinyl)methyl]-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(4-chloro-2-pyridinyl)methyl]-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]pyrazine-2-carboxamide
PubChem CID145085853
Molecular FormulaC17H18ClN5O2
Molecular Weight359.82 g/mol
Exact Mass359.11
IUPAC Name3-amino-N-[(4-chloro-2-pyridinyl)methyl]-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]pyrazine-2-carboxamide
SMILESC=C(O/C=C\C)c1nc(N)c(C(=O)NCc2cc(Cl)ccn2)nc1C
InChIInChI=1S/C17H18ClN5O2/c1-4-7-25-11(3)14-10(2)22-15(16(19)23-14)17(24)21-9-13-8-12(18)5-6-20-13/h4-8H,3,9H2,1-2H3,(H2,19,23)(H,21,24)/b7-4-
InChIKeyNUVYBAJZOLXJEO-DAXSKMNVSA-N
XLogP2.87
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.82
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(1H-benzimidazol-2-ylmethyl)-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]pyrazine-2-carboxamide
CID 145085864
3-amino-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide
CID 145085908
3-amino-6-methyl-N-[(5-methylpyrimidin-2-yl)methyl]-5-[(E)-1-[(Z)-prop-1-enoxy]but-1-enyl]pyrazine-2-carboxamide
CID 145085919
N-[(4-chloro-2-pyridinyl)methyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 75501226
1-[(4-chloro-2-pyridinyl)methyl]-3-ethylurea
CID 97257516
3-amino-N-[(5-chloro-3-fluoro-2-pyridinyl)methyl]-6-methyl-5-[2-[(Z)-prop-1-enoxy]but-3-yn-2-yl]pyrazine-2-carboxamide
CID 121358981
1-[(4-chloro-2-pyridinyl)methyl]-3-[(2R)-3-methylbutan-2-yl]urea
CID 97352959
4-amino-3,5-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 82832714
4-amino-N-[(4-methoxy-2-pyridinyl)methyl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 154780957
(3S)-N-[(4-chloro-2-pyridinyl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide
CID 97336644
3-amino-6-methyl-N-[(1-methylpyrazol-3-yl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 121351267
2-bromo-4-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 113257504

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-chloro-2-pyridinyl)methyl]-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(4-chloro-2-pyridinyl)methyl]-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]pyrazine-2-carboxamide (CID 145085853) is 3-amino-N-[(4-chloro-2-pyridinyl)methyl]-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(4-chloro-2-pyridinyl)methyl]-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(4-chloro-2-pyridinyl)methyl]-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]pyrazine-2-carboxamide is C=C(O/C=C\C)c1nc(N)c(C(=O)NCc2cc(Cl)ccn2)nc1C.
What is the InChIKey of 3-amino-N-[(4-chloro-2-pyridinyl)methyl]-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]pyrazine-2-carboxamide?
The InChIKey is NUVYBAJZOLXJEO-DAXSKMNVSA-N. The full InChI is InChI=1S/C17H18ClN5O2/c1-4-7-25-11(3)14-10(2)22-15(16(19)23-14)17(24)21-9-13-8-12(18)5-6-20-13/h4-8H,3,9H2,1-2H3,(H2,19,23)(H,21,24)/b7-4-.
What are the key properties of 3-amino-N-[(4-chloro-2-pyridinyl)methyl]-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]pyrazine-2-carboxamide?
3-amino-N-[(4-chloro-2-pyridinyl)methyl]-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]pyrazine-2-carboxamide has a molecular weight of 359.82 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-chloro-2-pyridinyl)methyl]-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 145085853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).