N-[1-[5-(hydroxycarbamoyl)-2-pyridinyl]piperidin-4-yl]-1H-indole-3-carboxamide

C20H21N5O3 — CID 11417616

IUPACN-[1-[5-(hydroxycarbamoyl)-2-pyridinyl]piperidin-4-yl]-1H-indole-3-carboxamide
SMILESO=C(NO)c1ccc(N2CCC(NC(=O)c3c[nH]c4ccccc34)CC2)nc1
InChIInChI=1S/C20H21N5O3/c26-19(24-28)13-5-6-18(22-11-13)25-9-7-14(8-10-25)23-20(27)16-12-21-17-4-2-1-3-15(16)17/h1-6,11-12,14,21,28H,7-10H2,(H,23,27)(H,24,26)
InChIKeyKRBAPJMCRCQNBC-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.08
Rot. Bonds4

About N-[1-[5-(hydroxycarbamoyl)-2-pyridinyl]piperidin-4-yl]-1H-indole-3-carboxamide

N-[1-[5-(hydroxycarbamoyl)-2-pyridinyl]piperidin-4-yl]-1H-indole-3-carboxamide (PubChem CID 11417616) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[1-[5-(hydroxycarbamoyl)-2-pyridinyl]piperidin-4-yl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[5-(hydroxycarbamoyl)-2-pyridinyl]piperidin-4-yl]-1H-indole-3-carboxamide
PubChem CID11417616
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC NameN-[1-[5-(hydroxycarbamoyl)-2-pyridinyl]piperidin-4-yl]-1H-indole-3-carboxamide
SMILESO=C(NO)c1ccc(N2CCC(NC(=O)c3c[nH]c4ccccc34)CC2)nc1
InChIInChI=1S/C20H21N5O3/c26-19(24-28)13-5-6-18(22-11-13)25-9-7-14(8-10-25)23-20(27)16-12-21-17-4-2-1-3-15(16)17/h1-6,11-12,14,21,28H,7-10H2,(H,23,27)(H,24,26)
InChIKeyKRBAPJMCRCQNBC-UHFFFAOYSA-N
XLogP2.08
TPSA110.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-pyridin-2-ylpyrrolidin-3-yl)-1H-indole-3-carboxamide
CID 90621383
N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1H-indole-3-carboxamide
CID 121144787
cis-(1R,3S)-3-(1H-indole-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 106320270
N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-1H-indole-3-carboxamide
CID 119105652
N-(4-aminocyclohexyl)-1H-indole-3-carboxamide
CID 62321120
N-(4,4-difluorocyclohexyl)-1H-indole-3-carboxamide
CID 121021872
N-cyclopropyl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 47016815
N-(1-cyclohexylpyrrolidin-3-yl)-1H-indole-3-carboxamide
CID 167818595
N-cyclopropyl-6-[4-(2,6-dimethylphenoxy)piperidin-1-yl]pyridine-3-carboxamide
CID 71891796
N-[1-(1,1-dioxothiolan-3-yl)piperidin-4-yl]-1H-indole-3-carboxamide
CID 122245618
N-piperidin-4-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119386740
N'-(1-pyrazin-2-ylpiperidine-4-carbonyl)-1H-indole-3-carbohydrazide
CID 38793783

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(hydroxycarbamoyl)-2-pyridinyl]piperidin-4-yl]-1H-indole-3-carboxamide?
The IUPAC name of N-[1-[5-(hydroxycarbamoyl)-2-pyridinyl]piperidin-4-yl]-1H-indole-3-carboxamide (CID 11417616) is N-[1-[5-(hydroxycarbamoyl)-2-pyridinyl]piperidin-4-yl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[1-[5-(hydroxycarbamoyl)-2-pyridinyl]piperidin-4-yl]-1H-indole-3-carboxamide?
The canonical SMILES for N-[1-[5-(hydroxycarbamoyl)-2-pyridinyl]piperidin-4-yl]-1H-indole-3-carboxamide is O=C(NO)c1ccc(N2CCC(NC(=O)c3c[nH]c4ccccc34)CC2)nc1.
What is the InChIKey of N-[1-[5-(hydroxycarbamoyl)-2-pyridinyl]piperidin-4-yl]-1H-indole-3-carboxamide?
The InChIKey is KRBAPJMCRCQNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c26-19(24-28)13-5-6-18(22-11-13)25-9-7-14(8-10-25)23-20(27)16-12-21-17-4-2-1-3-15(16)17/h1-6,11-12,14,21,28H,7-10H2,(H,23,27)(H,24,26).
What are the key properties of N-[1-[5-(hydroxycarbamoyl)-2-pyridinyl]piperidin-4-yl]-1H-indole-3-carboxamide?
N-[1-[5-(hydroxycarbamoyl)-2-pyridinyl]piperidin-4-yl]-1H-indole-3-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 2.08, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(hydroxycarbamoyl)-2-pyridinyl]piperidin-4-yl]-1H-indole-3-carboxamide is sourced from PubChem (CID 11417616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).