N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide

C17H23N3O2 — CID 47830812

IUPACN-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1cccc(NC(=O)CCNC(=O)C2CC3CCC2C3)n1
InChIInChI=1S/C17H23N3O2/c1-11-3-2-4-15(19-11)20-16(21)7-8-18-17(22)14-10-12-5-6-13(14)9-12/h2-4,12-14H,5-10H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyKZOYGLAXOXIEFC-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.27
Rot. Bonds5

About N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide

N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 47830812) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID47830812
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1cccc(NC(=O)CCNC(=O)C2CC3CCC2C3)n1
InChIInChI=1S/C17H23N3O2/c1-11-3-2-4-15(19-11)20-16(21)7-8-18-17(22)14-10-12-5-6-13(14)9-12/h2-4,12-14H,5-10H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyKZOYGLAXOXIEFC-UHFFFAOYSA-N
XLogP2.27
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-(4-fluorophenyl)-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]cyclopropane-1-carboxamide
CID 94811747
(1S,2S,4S)-N-[2-[[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 124716151
(1R,2S,4R)-N-[2-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98123961
1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(6-methyl-2-pyridinyl)thiourea
CID 11920813
(1R,2S,4R)-N-(4,6-dimethyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98278428
N-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethylcarbamoylamino)propanamide
CID 86861206
1-N,4-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,4-dicarboxamide
CID 25469709
4-(cyclohexylcarbamoylamino)-N-(6-methyl-2-pyridinyl)butanamide
CID 18146705
N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 4122681
N-(2-benzamidoethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 134046553
ethane;N-(6-methyl-2-pyridinyl)butanamide
CID 143608787
N-(6-methyl-2-pyridinyl)-3-[(2-phenylsulfanylacetyl)amino]propanamide
CID 86860055

Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 47830812) is N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide is Cc1cccc(NC(=O)CCNC(=O)C2CC3CCC2C3)n1.
What is the InChIKey of N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is KZOYGLAXOXIEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-11-3-2-4-15(19-11)20-16(21)7-8-18-17(22)14-10-12-5-6-13(14)9-12/h2-4,12-14H,5-10H2,1H3,(H,18,22)(H,19,20,21).
What are the key properties of N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide?
N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 47830812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).