N-[(2S)-2-hydroxypropyl]-4-[(2-phenyl-5-propan-2-yl-4-pyridinyl)amino]pyridine-3-carboxamide

C23H26N4O2 — CID 122670024

IUPACN-[(2S)-2-hydroxypropyl]-4-[(2-phenyl-5-propan-2-yl-4-pyridinyl)amino]pyridine-3-carboxamide
SMILESCC(C)c1cnc(-c2ccccc2)cc1Nc1ccncc1C(=O)NC[C@H](C)O
InChIInChI=1S/C23H26N4O2/c1-15(2)18-14-25-21(17-7-5-4-6-8-17)11-22(18)27-20-9-10-24-13-19(20)23(29)26-12-16(3)28/h4-11,13-16,28H,12H2,1-3H3,(H,26,29)(H,24,25,27)/t16-/m0/s1
InChIKeyXDHZSOHHUNDLNQ-INIZCTEOSA-N
MW390.49 g/mol
LogP4.12
Rot. Bonds7

About N-[(2S)-2-hydroxypropyl]-4-[(2-phenyl-5-propan-2-yl-4-pyridinyl)amino]pyridine-3-carboxamide

N-[(2S)-2-hydroxypropyl]-4-[(2-phenyl-5-propan-2-yl-4-pyridinyl)amino]pyridine-3-carboxamide (PubChem CID 122670024) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypropyl]-4-[(2-phenyl-5-propan-2-yl-4-pyridinyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypropyl]-4-[(2-phenyl-5-propan-2-yl-4-pyridinyl)amino]pyridine-3-carboxamide
PubChem CID122670024
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[(2S)-2-hydroxypropyl]-4-[(2-phenyl-5-propan-2-yl-4-pyridinyl)amino]pyridine-3-carboxamide
SMILESCC(C)c1cnc(-c2ccccc2)cc1Nc1ccncc1C(=O)NC[C@H](C)O
InChIInChI=1S/C23H26N4O2/c1-15(2)18-14-25-21(17-7-5-4-6-8-17)11-22(18)27-20-9-10-24-13-19(20)23(29)26-12-16(3)28/h4-11,13-16,28H,12H2,1-3H3,(H,26,29)(H,24,25,27)/t16-/m0/s1
InChIKeyXDHZSOHHUNDLNQ-INIZCTEOSA-N
XLogP4.12
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypropyl]-4-[(2-phenyl-5-propan-2-yl-4-pyridinyl)amino]pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxypropyl]-4-[(2-phenyl-5-propan-2-yl-4-pyridinyl)amino]pyridine-3-carboxamide (CID 122670024) is N-[(2S)-2-hydroxypropyl]-4-[(2-phenyl-5-propan-2-yl-4-pyridinyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxypropyl]-4-[(2-phenyl-5-propan-2-yl-4-pyridinyl)amino]pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxypropyl]-4-[(2-phenyl-5-propan-2-yl-4-pyridinyl)amino]pyridine-3-carboxamide is CC(C)c1cnc(-c2ccccc2)cc1Nc1ccncc1C(=O)NC[C@H](C)O.
What is the InChIKey of N-[(2S)-2-hydroxypropyl]-4-[(2-phenyl-5-propan-2-yl-4-pyridinyl)amino]pyridine-3-carboxamide?
The InChIKey is XDHZSOHHUNDLNQ-INIZCTEOSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-15(2)18-14-25-21(17-7-5-4-6-8-17)11-22(18)27-20-9-10-24-13-19(20)23(29)26-12-16(3)28/h4-11,13-16,28H,12H2,1-3H3,(H,26,29)(H,24,25,27)/t16-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypropyl]-4-[(2-phenyl-5-propan-2-yl-4-pyridinyl)amino]pyridine-3-carboxamide?
N-[(2S)-2-hydroxypropyl]-4-[(2-phenyl-5-propan-2-yl-4-pyridinyl)amino]pyridine-3-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 4.12, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxypropyl]-4-[(2-phenyl-5-propan-2-yl-4-pyridinyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 122670024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).