3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-pyridin-2-ylpyridine-2-carboxamide

C21H23N7O — CID 69090096

IUPAC3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-pyridin-2-ylpyridine-2-carboxamide
SMILESNc1ccc(-c2ccccn2)nc1C(=O)Nc1cnccc1N1CCC[C@H](N)C1
InChIInChI=1S/C21H23N7O/c22-14-4-3-11-28(13-14)19-8-10-24-12-18(19)27-21(29)20-15(23)6-7-17(26-20)16-5-1-2-9-25-16/h1-2,5-10,12,14H,3-4,11,13,22-23H2,(H,27,29)/t14-/m0/s1
InChIKeyKYSZTDYOKABQLB-AWEZNQCLSA-N
MW389.46 g/mol
LogP2.30
Rot. Bonds4

About 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-pyridin-2-ylpyridine-2-carboxamide

3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-pyridin-2-ylpyridine-2-carboxamide (PubChem CID 69090096) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-pyridin-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-pyridin-2-ylpyridine-2-carboxamide
PubChem CID69090096
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC Name3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-pyridin-2-ylpyridine-2-carboxamide
SMILESNc1ccc(-c2ccccn2)nc1C(=O)Nc1cnccc1N1CCC[C@H](N)C1
InChIInChI=1S/C21H23N7O/c22-14-4-3-11-28(13-14)19-8-10-24-12-18(19)27-21(29)20-15(23)6-7-17(26-20)16-5-1-2-9-25-16/h1-2,5-10,12,14H,3-4,11,13,22-23H2,(H,27,29)/t14-/m0/s1
InChIKeyKYSZTDYOKABQLB-AWEZNQCLSA-N
XLogP2.30
TPSA123.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-pyridin-2-ylpyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-pyridin-2-ylpyridine-2-carboxamide (CID 69090096) is 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-pyridin-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-pyridin-2-ylpyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-pyridin-2-ylpyridine-2-carboxamide is Nc1ccc(-c2ccccn2)nc1C(=O)Nc1cnccc1N1CCC[C@H](N)C1.
What is the InChIKey of 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-pyridin-2-ylpyridine-2-carboxamide?
The InChIKey is KYSZTDYOKABQLB-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H23N7O/c22-14-4-3-11-28(13-14)19-8-10-24-12-18(19)27-21(29)20-15(23)6-7-17(26-20)16-5-1-2-9-25-16/h1-2,5-10,12,14H,3-4,11,13,22-23H2,(H,27,29)/t14-/m0/s1.
What are the key properties of 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-pyridin-2-ylpyridine-2-carboxamide?
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-pyridin-2-ylpyridine-2-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-pyridin-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 69090096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).