N-[4-(carbamoylamino)butyl]-5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxamide

C20H23N7O2 — CID 71205995

IUPACN-[4-(carbamoylamino)butyl]-5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCCCNC(N)=O)nn2-c2cccnc2)nc1
InChIInChI=1S/C20H23N7O2/c1-14-6-7-16(25-12-14)18-11-17(26-27(18)15-5-4-8-22-13-15)19(28)23-9-2-3-10-24-20(21)29/h4-8,11-13H,2-3,9-10H2,1H3,(H,23,28)(H3,21,24,29)
InChIKeyVXFJQVHKAOBDEF-UHFFFAOYSA-N
MW393.45 g/mol
LogP1.82
Rot. Bonds8

About N-[4-(carbamoylamino)butyl]-5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxamide

N-[4-(carbamoylamino)butyl]-5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxamide (PubChem CID 71205995) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[4-(carbamoylamino)butyl]-5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(carbamoylamino)butyl]-5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxamide
PubChem CID71205995
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC NameN-[4-(carbamoylamino)butyl]-5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCCCNC(N)=O)nn2-c2cccnc2)nc1
InChIInChI=1S/C20H23N7O2/c1-14-6-7-16(25-12-14)18-11-17(26-27(18)15-5-4-8-22-13-15)19(28)23-9-2-3-10-24-20(21)29/h4-8,11-13H,2-3,9-10H2,1H3,(H,23,28)(H3,21,24,29)
InChIKeyVXFJQVHKAOBDEF-UHFFFAOYSA-N
XLogP1.82
TPSA127.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(1-hydroxy-2-methylpropan-2-yl)-5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxamide
CID 23143796
N-(1-fluoro-2-methylpropan-2-yl)-5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxamide
CID 23143688
5-(5-chloro-2-pyridinyl)-N-(2-hydroxy-2-methylpropyl)-1-pyridin-3-ylpyrazole-3-carboxamide
CID 69477331
6-[3-[(1-fluoro-2-methylpropan-2-yl)carbamoyl]-1-pyridin-3-ylpyrazol-5-yl]pyridine-3-carboxamide
CID 23143470
5-[5-(acetamidomethyl)-2-pyridinyl]-N-tert-butyl-1-pyridin-3-ylpyrazole-3-carboxamide
CID 23143604
N-tert-butyl-5-(6-methylpyridazin-3-yl)-1-pyridin-3-ylpyrazole-3-carboxamide
CID 23143690
ethyl 5-(5-methylpyrazin-2-yl)-1-pyridin-3-ylpyrazole-3-carboxylate
CID 23143622
N-[3-(methanesulfonamido)propyl]-1-(6-methyl-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carboxamide
CID 71193150
methyl 3-[6-[3-(tert-butylcarbamoyl)-1-pyridin-3-ylpyrazol-5-yl]-3-pyridinyl]propanoate
CID 23143591
N-(2-hydroxyethyl)-6-(4-methylphenyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
CID 142410996
[6-[1-(6-methyl-3-pyridinyl)-3-(propylcarbamoyl)pyrazol-5-yl]-3-pyridinyl]methylcarbamic acid
CID 23143602
ethyl 5-(5-methyl-2-pyridinyl)-1-pyrimidin-2-ylpyrazole-3-carboxylate
CID 23143582

Frequently Asked Questions

What is the IUPAC name of N-[4-(carbamoylamino)butyl]-5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxamide?
The IUPAC name of N-[4-(carbamoylamino)butyl]-5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxamide (CID 71205995) is N-[4-(carbamoylamino)butyl]-5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(carbamoylamino)butyl]-5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-(carbamoylamino)butyl]-5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NCCCCNC(N)=O)nn2-c2cccnc2)nc1.
What is the InChIKey of N-[4-(carbamoylamino)butyl]-5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxamide?
The InChIKey is VXFJQVHKAOBDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-14-6-7-16(25-12-14)18-11-17(26-27(18)15-5-4-8-22-13-15)19(28)23-9-2-3-10-24-20(21)29/h4-8,11-13H,2-3,9-10H2,1H3,(H,23,28)(H3,21,24,29).
What are the key properties of N-[4-(carbamoylamino)butyl]-5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxamide?
N-[4-(carbamoylamino)butyl]-5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 1.82, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(carbamoylamino)butyl]-5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxamide is sourced from PubChem (CID 71205995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).