N-[2-(1-methylpyrrole-2-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide

C18H20N4O2 — CID 156602037

IUPACN-[2-(1-methylpyrrole-2-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
SMILESCn1cccc1C(=O)N1CC2CC(NC(=O)c3cccnc3)C1C2
InChIInChI=1S/C18H20N4O2/c1-21-7-3-5-15(21)18(24)22-11-12-8-14(16(22)9-12)20-17(23)13-4-2-6-19-10-13/h2-7,10,12,14,16H,8-9,11H2,1H3,(H,20,23)
InChIKeyUZISWRQRHGSBHG-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.45
Rot. Bonds3

About N-[2-(1-methylpyrrole-2-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide

N-[2-(1-methylpyrrole-2-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide (PubChem CID 156602037) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[2-(1-methylpyrrole-2-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrrole-2-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
PubChem CID156602037
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[2-(1-methylpyrrole-2-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
SMILESCn1cccc1C(=O)N1CC2CC(NC(=O)c3cccnc3)C1C2
InChIInChI=1S/C18H20N4O2/c1-21-7-3-5-15(21)18(24)22-11-12-8-14(16(22)9-12)20-17(23)13-4-2-6-19-10-13/h2-7,10,12,14,16H,8-9,11H2,1H3,(H,20,23)
InChIKeyUZISWRQRHGSBHG-UHFFFAOYSA-N
XLogP1.45
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,4R,6S)-2-(6-methylpyridine-3-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
CID 86771638
N-[(1R,4R,6S)-2-(furan-2-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
CID 87052675
N-[(1R,4R,6S)-2-[3-(trifluoromethoxy)benzoyl]-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
CID 87052683
N-[(1R,4R,6S)-2-[3-(trifluoromethyl)benzoyl]-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
CID 87052678
N-[2-(1,3-benzodioxole-5-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
CID 156601591
N-[2-(5-chloro-2-methoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
CID 156601593
N-[(1R,4R,6S)-2-(3,5-difluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
CID 87052706
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]pyridine-3-carboxamide
CID 125073491
N-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 156602136
N-[2-(2,3-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 156602110
N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 11841361
N-[2-(1,3-benzodioxole-5-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 156601577

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrrole-2-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(1-methylpyrrole-2-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide (CID 156602037) is N-[2-(1-methylpyrrole-2-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1-methylpyrrole-2-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(1-methylpyrrole-2-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide is Cn1cccc1C(=O)N1CC2CC(NC(=O)c3cccnc3)C1C2.
What is the InChIKey of N-[2-(1-methylpyrrole-2-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide?
The InChIKey is UZISWRQRHGSBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-21-7-3-5-15(21)18(24)22-11-12-8-14(16(22)9-12)20-17(23)13-4-2-6-19-10-13/h2-7,10,12,14,16H,8-9,11H2,1H3,(H,20,23).
What are the key properties of N-[2-(1-methylpyrrole-2-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide?
N-[2-(1-methylpyrrole-2-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrrole-2-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide is sourced from PubChem (CID 156602037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).