N-[2-(1,3-benzodioxole-5-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide

C20H19N3O4 — CID 156601591

IUPACN-[2-(1,3-benzodioxole-5-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
SMILESO=C(NC1CC2CC1N(C(=O)c1ccc3c(c1)OCO3)C2)c1cccnc1
InChIInChI=1S/C20H19N3O4/c24-19(14-2-1-5-21-9-14)22-15-6-12-7-16(15)23(10-12)20(25)13-3-4-17-18(8-13)27-11-26-17/h1-5,8-9,12,15-16H,6-7,10-11H2,(H,22,24)
InChIKeySYSUWZPPQGUKNB-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.84
Rot. Bonds3

About N-[2-(1,3-benzodioxole-5-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide

N-[2-(1,3-benzodioxole-5-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide (PubChem CID 156601591) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxole-5-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxole-5-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
PubChem CID156601591
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC NameN-[2-(1,3-benzodioxole-5-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
SMILESO=C(NC1CC2CC1N(C(=O)c1ccc3c(c1)OCO3)C2)c1cccnc1
InChIInChI=1S/C20H19N3O4/c24-19(14-2-1-5-21-9-14)22-15-6-12-7-16(15)23(10-12)20(25)13-3-4-17-18(8-13)27-11-26-17/h1-5,8-9,12,15-16H,6-7,10-11H2,(H,22,24)
InChIKeySYSUWZPPQGUKNB-UHFFFAOYSA-N
XLogP1.84
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,3-benzodioxole-5-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 156601577
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-[3-(trifluoromethyl)benzoyl]-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
CID 87052678
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-[2-(1-methylpyrrole-2-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
CID 156602037
6-benzamido-N-(1,3-benzodioxol-5-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 156601988
1,3-benzodioxol-5-yl-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808446
N-[(1R,4R,6S)-2-(3,5-difluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
CID 87052706
N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]pyridine-3-carboxamide
CID 6261518
N-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 156602136
1,3-benzodioxol-5-yl-[(2S,3R)-3-methoxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 97470213

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxole-5-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(1,3-benzodioxole-5-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide (CID 156601591) is N-[2-(1,3-benzodioxole-5-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzodioxole-5-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(1,3-benzodioxole-5-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide is O=C(NC1CC2CC1N(C(=O)c1ccc3c(c1)OCO3)C2)c1cccnc1.
What is the InChIKey of N-[2-(1,3-benzodioxole-5-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide?
The InChIKey is SYSUWZPPQGUKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c24-19(14-2-1-5-21-9-14)22-15-6-12-7-16(15)23(10-12)20(25)13-3-4-17-18(8-13)27-11-26-17/h1-5,8-9,12,15-16H,6-7,10-11H2,(H,22,24).
What are the key properties of N-[2-(1,3-benzodioxole-5-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide?
N-[2-(1,3-benzodioxole-5-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxole-5-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide is sourced from PubChem (CID 156601591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).