2-(cycloprop-2-ene-1-carbonylamino)-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)pyridine-4-carboxamide

C19H18N4O2 — CID 163969048

IUPAC2-(cycloprop-2-ene-1-carbonylamino)-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)pyridine-4-carboxamide
SMILESO=C(Nc1cncc2c1CCCC2)c1ccnc(NC(=O)C2C=C2)c1
InChIInChI=1S/C19H18N4O2/c24-18(12-5-6-12)23-17-9-13(7-8-21-17)19(25)22-16-11-20-10-14-3-1-2-4-15(14)16/h5-12H,1-4H2,(H,22,25)(H,21,23,24)
InChIKeySOJOLJGOMPFBOE-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.73
Rot. Bonds4

About 2-(cycloprop-2-ene-1-carbonylamino)-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)pyridine-4-carboxamide

2-(cycloprop-2-ene-1-carbonylamino)-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)pyridine-4-carboxamide (PubChem CID 163969048) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-(cycloprop-2-ene-1-carbonylamino)-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(cycloprop-2-ene-1-carbonylamino)-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)pyridine-4-carboxamide
PubChem CID163969048
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2-(cycloprop-2-ene-1-carbonylamino)-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)pyridine-4-carboxamide
SMILESO=C(Nc1cncc2c1CCCC2)c1ccnc(NC(=O)C2C=C2)c1
InChIInChI=1S/C19H18N4O2/c24-18(12-5-6-12)23-17-9-13(7-8-21-17)19(25)22-16-11-20-10-14-3-1-2-4-15(14)16/h5-12H,1-4H2,(H,22,25)(H,21,23,24)
InChIKeySOJOLJGOMPFBOE-UHFFFAOYSA-N
XLogP2.73
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropanecarbonylamino)-N-[4-(cyclopropylmethoxy)-3-pyridinyl]pyridine-4-carboxamide
CID 118070965
2-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
CID 103752146
2-[(2,2-difluorocyclopropanecarbonyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
CID 122583837
2-[(3-oxocyclobutanecarbonyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
CID 118064729
N-(2-amino-3-pyridinyl)-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide
CID 155516197
2-(cyclopropanecarbonylamino)-N-(4-methoxy-2-methylphenyl)pyridine-4-carboxamide
CID 136541919
2-(cyclopropanecarbonylamino)-N-(6-fluoro-5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 118071000
2-(cyclopropanecarbonylamino)-N-quinolin-3-ylpyridine-4-carboxamide
CID 118071036
5-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide
CID 16545685
2-chloro-N-(4-methyl-3-pyridinyl)pyridine-4-carboxamide;ethane
CID 144842731
2-(cyclopropanecarbonylamino)-N-[5-(1-methylpyrrol-3-yl)-3-pyridinyl]pyridine-4-carboxamide
CID 118065419
2-(cyclopropanecarbonylamino)-N-(1-methylimidazol-4-yl)pyridine-4-carboxamide
CID 118065444

Frequently Asked Questions

What is the IUPAC name of 2-(cycloprop-2-ene-1-carbonylamino)-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)pyridine-4-carboxamide?
The IUPAC name of 2-(cycloprop-2-ene-1-carbonylamino)-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)pyridine-4-carboxamide (CID 163969048) is 2-(cycloprop-2-ene-1-carbonylamino)-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(cycloprop-2-ene-1-carbonylamino)-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-(cycloprop-2-ene-1-carbonylamino)-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)pyridine-4-carboxamide is O=C(Nc1cncc2c1CCCC2)c1ccnc(NC(=O)C2C=C2)c1.
What is the InChIKey of 2-(cycloprop-2-ene-1-carbonylamino)-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)pyridine-4-carboxamide?
The InChIKey is SOJOLJGOMPFBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-18(12-5-6-12)23-17-9-13(7-8-21-17)19(25)22-16-11-20-10-14-3-1-2-4-15(14)16/h5-12H,1-4H2,(H,22,25)(H,21,23,24).
What are the key properties of 2-(cycloprop-2-ene-1-carbonylamino)-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)pyridine-4-carboxamide?
2-(cycloprop-2-ene-1-carbonylamino)-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)pyridine-4-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloprop-2-ene-1-carbonylamino)-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 163969048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).