3-amino-N-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-phenylpyridine-2-carboxamide

C21H25N7O — CID 53482334

IUPAC3-amino-N-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-phenylpyridine-2-carboxamide
SMILESCn1ncc(NC(=O)c2nc(-c3ccccc3)ccc2N)c1N1CCC(N)CC1
InChIInChI=1S/C21H25N7O/c1-27-21(28-11-9-15(22)10-12-28)18(13-24-27)26-20(29)19-16(23)7-8-17(25-19)14-5-3-2-4-6-14/h2-8,13,15H,9-12,22-23H2,1H3,(H,26,29)
InChIKeyCDPLNEIWXMADGF-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.24
Rot. Bonds4

About 3-amino-N-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-phenylpyridine-2-carboxamide

3-amino-N-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-phenylpyridine-2-carboxamide (PubChem CID 53482334) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is 3-amino-N-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-phenylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-phenylpyridine-2-carboxamide
PubChem CID53482334
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC Name3-amino-N-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-phenylpyridine-2-carboxamide
SMILESCn1ncc(NC(=O)c2nc(-c3ccccc3)ccc2N)c1N1CCC(N)CC1
InChIInChI=1S/C21H25N7O/c1-27-21(28-11-9-15(22)10-12-28)18(13-24-27)26-20(29)19-16(23)7-8-17(25-19)14-5-3-2-4-6-14/h2-8,13,15H,9-12,22-23H2,1H3,(H,26,29)
InChIKeyCDPLNEIWXMADGF-UHFFFAOYSA-N
XLogP2.24
TPSA115.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-phenylpyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-phenylpyridine-2-carboxamide (CID 53482334) is 3-amino-N-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-phenylpyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-phenylpyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-phenylpyridine-2-carboxamide is Cn1ncc(NC(=O)c2nc(-c3ccccc3)ccc2N)c1N1CCC(N)CC1.
What is the InChIKey of 3-amino-N-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-phenylpyridine-2-carboxamide?
The InChIKey is CDPLNEIWXMADGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O/c1-27-21(28-11-9-15(22)10-12-28)18(13-24-27)26-20(29)19-16(23)7-8-17(25-19)14-5-3-2-4-6-14/h2-8,13,15H,9-12,22-23H2,1H3,(H,26,29).
What are the key properties of 3-amino-N-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-phenylpyridine-2-carboxamide?
3-amino-N-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-phenylpyridine-2-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 2.24, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-phenylpyridine-2-carboxamide is sourced from PubChem (CID 53482334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).