N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide

C13H15N9O — CID 146037965

IUPACN-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
SMILESCc1cccnc1NCCNC(=O)c1cc(-n2cnnn2)n[nH]1
InChIInChI=1S/C13H15N9O/c1-9-3-2-4-14-12(9)15-5-6-16-13(23)10-7-11(19-18-10)22-8-17-20-21-22/h2-4,7-8H,5-6H2,1H3,(H,14,15)(H,16,23)(H,18,19)
InChIKeyYCHAVSCMCGMDDY-UHFFFAOYSA-N
MW313.32 g/mol
LogP-0.07
Rot. Bonds6

About N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide

N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide (PubChem CID 146037965) has the molecular formula C13H15N9O and a molecular weight of 313.32 g/mol. Its IUPAC name is N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
PubChem CID146037965
Molecular FormulaC13H15N9O
Molecular Weight313.32 g/mol
Exact Mass313.14
IUPAC NameN-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
SMILESCc1cccnc1NCCNC(=O)c1cc(-n2cnnn2)n[nH]1
InChIInChI=1S/C13H15N9O/c1-9-3-2-4-14-12(9)15-5-6-16-13(23)10-7-11(19-18-10)22-8-17-20-21-22/h2-4,7-8H,5-6H2,1H3,(H,14,15)(H,16,23)(H,18,19)
InChIKeyYCHAVSCMCGMDDY-UHFFFAOYSA-N
XLogP-0.07
TPSA126.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 5-0.07
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-[3-(pyridin-3-ylamino)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
CID 146042205
N-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
CID 146041003
N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
CID 146039372
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
CID 146046306
N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 72885838
N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-methylsulfanylpropanamide
CID 91784355
N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 131925742
N-[4-[(3-fluorophenyl)methylcarbamoyl]cyclohexyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
CID 169416230
(2S)-2-methyl-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 124750666
3-methyl-4-(tetrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide
CID 47036805
N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-3-(tetrazol-1-yl)benzamide
CID 122328399
2-[(3-methyl-2-pyridinyl)amino]acetic acid
CID 83826873

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide (CID 146037965) is N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide is Cc1cccnc1NCCNC(=O)c1cc(-n2cnnn2)n[nH]1.
What is the InChIKey of N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is YCHAVSCMCGMDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N9O/c1-9-3-2-4-14-12(9)15-5-6-16-13(23)10-7-11(19-18-10)22-8-17-20-21-22/h2-4,7-8H,5-6H2,1H3,(H,14,15)(H,16,23)(H,18,19).
What are the key properties of N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide?
N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 313.32 g/mol, XLogP of -0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 146037965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).