N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyridine-2-carboxamide

C23H31N5O3 — CID 110195553

IUPACN-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyridine-2-carboxamide
SMILESO=C(NC1CCN(C(=O)N2C[C@H]3C[C@H](C2)[C@H]2CCCC(=O)N2C3)CC1)c1ccccn1
InChIInChI=1S/C23H31N5O3/c29-21-6-3-5-20-17-12-16(14-28(20)21)13-27(15-17)23(31)26-10-7-18(8-11-26)25-22(30)19-4-1-2-9-24-19/h1-2,4,9,16-18,20H,3,5-8,10-15H2,(H,25,30)/t16-,17-,20-/m1/s1
InChIKeyBENRMDOQBOVUFO-MBOZVWFJSA-N
MW425.53 g/mol
LogP1.73
Rot. Bonds2

About N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyridine-2-carboxamide

N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyridine-2-carboxamide (PubChem CID 110195553) has the molecular formula C23H31N5O3 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyridine-2-carboxamide
PubChem CID110195553
Molecular FormulaC23H31N5O3
Molecular Weight425.53 g/mol
Exact Mass425.24
IUPAC NameN-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyridine-2-carboxamide
SMILESO=C(NC1CCN(C(=O)N2C[C@H]3C[C@H](C2)[C@H]2CCCC(=O)N2C3)CC1)c1ccccn1
InChIInChI=1S/C23H31N5O3/c29-21-6-3-5-20-17-12-16(14-28(20)21)13-27(15-17)23(31)26-10-7-18(8-11-26)25-22(30)19-4-1-2-9-24-19/h1-2,4,9,16-18,20H,3,5-8,10-15H2,(H,25,30)/t16-,17-,20-/m1/s1
InChIKeyBENRMDOQBOVUFO-MBOZVWFJSA-N
XLogP1.73
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyridine-2-carboxamide (CID 110195553) is N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyridine-2-carboxamide is O=C(NC1CCN(C(=O)N2C[C@H]3C[C@H](C2)[C@H]2CCCC(=O)N2C3)CC1)c1ccccn1.
What is the InChIKey of N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyridine-2-carboxamide?
The InChIKey is BENRMDOQBOVUFO-MBOZVWFJSA-N. The full InChI is InChI=1S/C23H31N5O3/c29-21-6-3-5-20-17-12-16(14-28(20)21)13-27(15-17)23(31)26-10-7-18(8-11-26)25-22(30)19-4-1-2-9-24-19/h1-2,4,9,16-18,20H,3,5-8,10-15H2,(H,25,30)/t16-,17-,20-/m1/s1.
What are the key properties of N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyridine-2-carboxamide?
N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 110195553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).