N-[3-(pyridin-3-ylamino)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide

C13H15N9O — CID 146042205

IUPACN-[3-(pyridin-3-ylamino)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCCCNc1cccnc1)c1cc(-n2cnnn2)n[nH]1
InChIInChI=1S/C13H15N9O/c23-13(11-7-12(19-18-11)22-9-17-20-21-22)16-6-2-5-15-10-3-1-4-14-8-10/h1,3-4,7-9,15H,2,5-6H2,(H,16,23)(H,18,19)
InChIKeyNUQSKCHAXYJMIA-UHFFFAOYSA-N
MW313.32 g/mol
LogP0.01
Rot. Bonds7

About N-[3-(pyridin-3-ylamino)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide

N-[3-(pyridin-3-ylamino)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide (PubChem CID 146042205) has the molecular formula C13H15N9O and a molecular weight of 313.32 g/mol. Its IUPAC name is N-[3-(pyridin-3-ylamino)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(pyridin-3-ylamino)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
PubChem CID146042205
Molecular FormulaC13H15N9O
Molecular Weight313.32 g/mol
Exact Mass313.14
IUPAC NameN-[3-(pyridin-3-ylamino)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCCCNc1cccnc1)c1cc(-n2cnnn2)n[nH]1
InChIInChI=1S/C13H15N9O/c23-13(11-7-12(19-18-11)22-9-17-20-21-22)16-6-2-5-15-10-3-1-4-14-8-10/h1,3-4,7-9,15H,2,5-6H2,(H,16,23)(H,18,19)
InChIKeyNUQSKCHAXYJMIA-UHFFFAOYSA-N
XLogP0.01
TPSA126.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
CID 146037965
N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
CID 146039372
N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
CID 146041003
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
CID 146046306
[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone
CID 146042822
N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2989240
N-[4-[(3-fluorophenyl)methylcarbamoyl]cyclohexyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
CID 169416230
N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
CID 146041158
5-methyl-1-propyl-N-[3-(pyridin-3-ylamino)propyl]pyrazole-4-carboxamide
CID 72864277
3-methyl-N-[3-(pyridin-3-ylamino)propyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 154571393
5-(pyridin-3-ylamino)pentanoic acid
CID 102421086
N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-4-(tetrazol-1-yl)benzamide
CID 47076373

Frequently Asked Questions

What is the IUPAC name of N-[3-(pyridin-3-ylamino)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[3-(pyridin-3-ylamino)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide (CID 146042205) is N-[3-(pyridin-3-ylamino)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-(pyridin-3-ylamino)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[3-(pyridin-3-ylamino)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide is O=C(NCCCNc1cccnc1)c1cc(-n2cnnn2)n[nH]1.
What is the InChIKey of N-[3-(pyridin-3-ylamino)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is NUQSKCHAXYJMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N9O/c23-13(11-7-12(19-18-11)22-9-17-20-21-22)16-6-2-5-15-10-3-1-4-14-8-10/h1,3-4,7-9,15H,2,5-6H2,(H,16,23)(H,18,19).
What are the key properties of N-[3-(pyridin-3-ylamino)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide?
N-[3-(pyridin-3-ylamino)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 313.32 g/mol, XLogP of 0.01, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pyridin-3-ylamino)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 146042205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).