N-cyclopropyl-2-(3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)pyridine-4-carboxamide

C21H30N4O2 — CID 72935944

IUPACN-cyclopropyl-2-(3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)pyridine-4-carboxamide
SMILESCC(C)N1CC2(CCC1=O)CCN(c1cc(C(=O)NC3CC3)ccn1)CC2
InChIInChI=1S/C21H30N4O2/c1-15(2)25-14-21(7-5-19(25)26)8-11-24(12-9-21)18-13-16(6-10-22-18)20(27)23-17-3-4-17/h6,10,13,15,17H,3-5,7-9,11-12,14H2,1-2H3,(H,23,27)
InChIKeyAFKPBSFEXDBWEG-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.59
Rot. Bonds4

About N-cyclopropyl-2-(3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)pyridine-4-carboxamide

N-cyclopropyl-2-(3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)pyridine-4-carboxamide (PubChem CID 72935944) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-cyclopropyl-2-(3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)pyridine-4-carboxamide
PubChem CID72935944
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-cyclopropyl-2-(3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)pyridine-4-carboxamide
SMILESCC(C)N1CC2(CCC1=O)CCN(c1cc(C(=O)NC3CC3)ccn1)CC2
InChIInChI=1S/C21H30N4O2/c1-15(2)25-14-21(7-5-19(25)26)8-11-24(12-9-21)18-13-16(6-10-22-18)20(27)23-17-3-4-17/h6,10,13,15,17H,3-5,7-9,11-12,14H2,1-2H3,(H,23,27)
InChIKeyAFKPBSFEXDBWEG-UHFFFAOYSA-N
XLogP2.59
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminocyclohexyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 119478490
(3S,4S)-1-[4-(cyclopropylcarbamoyl)-2-pyridinyl]-4-propan-2-ylpyrrolidine-3-carboxylic acid
CID 72907662
N-cyclopropyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyridine-4-carboxamide
CID 117083309
N-cyclopentyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridine-4-carboxamide
CID 109166043
2-(4-methylpiperazin-1-yl)-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 119453711
N-cyclopropyl-2-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridine-4-carboxamide
CID 72916898
2-(4-methylpiperazin-1-yl)-N-piperidin-3-ylpyridine-4-carboxamide
CID 119428584
(6S)-2-propan-2-yl-8-pyridin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 96580636
2-(4-methylpiperazin-1-yl)-N-[(3R)-oxan-3-yl]pyridine-4-carboxamide
CID 96526874
N-(1,1-dioxothiolan-3-yl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide
CID 109168928
2-[2-(cyclopropylmethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-4-carboxylic acid
CID 70718159
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-4-carboxylic acid
CID 91811778

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)pyridine-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-(3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)pyridine-4-carboxamide (CID 72935944) is N-cyclopropyl-2-(3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-(3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)pyridine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-(3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)pyridine-4-carboxamide is CC(C)N1CC2(CCC1=O)CCN(c1cc(C(=O)NC3CC3)ccn1)CC2.
What is the InChIKey of N-cyclopropyl-2-(3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)pyridine-4-carboxamide?
The InChIKey is AFKPBSFEXDBWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-15(2)25-14-21(7-5-19(25)26)8-11-24(12-9-21)18-13-16(6-10-22-18)20(27)23-17-3-4-17/h6,10,13,15,17H,3-5,7-9,11-12,14H2,1-2H3,(H,23,27).
What are the key properties of N-cyclopropyl-2-(3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)pyridine-4-carboxamide?
N-cyclopropyl-2-(3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)pyridine-4-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)pyridine-4-carboxamide is sourced from PubChem (CID 72935944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).