N-[4-[2-(1-methylpiperidin-4-yl)propan-2-yl]phenyl]-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxamide

C26H32N6O — CID 22498887

IUPACN-[4-[2-(1-methylpiperidin-4-yl)propan-2-yl]phenyl]-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxamide
SMILESCN1CCC(C(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccncn3)cc2)CC1
InChIInChI=1S/C26H32N6O/c1-26(2,20-11-15-32(3)16-12-20)19-6-8-21(9-7-19)31-25(33)23-5-4-13-28-24(23)29-17-22-10-14-27-18-30-22/h4-10,13-14,18,20H,11-12,15-17H2,1-3H3,(H,28,29)(H,31,33)
InChIKeyWQCVAARHHACTJU-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.36
Rot. Bonds7

About N-[4-[2-(1-methylpiperidin-4-yl)propan-2-yl]phenyl]-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxamide

N-[4-[2-(1-methylpiperidin-4-yl)propan-2-yl]phenyl]-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxamide (PubChem CID 22498887) has the molecular formula C26H32N6O and a molecular weight of 444.58 g/mol. Its IUPAC name is N-[4-[2-(1-methylpiperidin-4-yl)propan-2-yl]phenyl]-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(1-methylpiperidin-4-yl)propan-2-yl]phenyl]-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxamide
PubChem CID22498887
Molecular FormulaC26H32N6O
Molecular Weight444.58 g/mol
Exact Mass444.26
IUPAC NameN-[4-[2-(1-methylpiperidin-4-yl)propan-2-yl]phenyl]-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxamide
SMILESCN1CCC(C(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccncn3)cc2)CC1
InChIInChI=1S/C26H32N6O/c1-26(2,20-11-15-32(3)16-12-20)19-6-8-21(9-7-19)31-25(33)23-5-4-13-28-24(23)29-17-22-10-14-27-18-30-22/h4-10,13-14,18,20H,11-12,15-17H2,1-3H3,(H,28,29)(H,31,33)
InChIKeyWQCVAARHHACTJU-UHFFFAOYSA-N
XLogP4.36
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(fluoromethyl)phenyl]-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxamide
CID 70907587
2-(1H-indazol-6-ylamino)-N-[4-[2-(1-methylpiperidin-4-yl)propan-2-yl]phenyl]pyridine-3-carboxamide
CID 10298783
2-[[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methylamino]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]pyridine-3-carboxamide
CID 22249252
N-(4-cyclohexylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249467
N-(4-tert-butylphenyl)-2-[[2-(2-morpholin-4-ylethoxy)-4-pyridinyl]methylamino]pyridine-3-carboxamide
CID 22249419
N-(4-bromophenyl)-2-[2-(4-methylpiperazin-1-yl)propylamino]pyridine-3-carboxamide
CID 133301482
N-(4-methylsulfonylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249375
N-(1-acetyl-2,3-dihydroindol-6-yl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249437
N-[3-[(1-methylpiperidin-2-yl)methoxy]-4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 87959098
N-[3-methoxy-5-(trifluoromethyl)phenyl]-2-[[2-(methylamino)pyrimidin-4-yl]methylamino]pyridine-3-carboxamide;1-methylpyrrolidine
CID 142853179
1-(1-methylpiperidin-4-yl)-2-pyrimidin-4-ylethanone
CID 116832883
tert-butyl 2-[[2-tert-butyl-4-[[2-(pyridin-4-ylmethylamino)pyridine-3-carbonyl]amino]phenoxy]methyl]pyrrolidine-1-carboxylate
CID 22249195

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1-methylpiperidin-4-yl)propan-2-yl]phenyl]-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[4-[2-(1-methylpiperidin-4-yl)propan-2-yl]phenyl]-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxamide (CID 22498887) is N-[4-[2-(1-methylpiperidin-4-yl)propan-2-yl]phenyl]-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[2-(1-methylpiperidin-4-yl)propan-2-yl]phenyl]-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[4-[2-(1-methylpiperidin-4-yl)propan-2-yl]phenyl]-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxamide is CN1CCC(C(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccncn3)cc2)CC1.
What is the InChIKey of N-[4-[2-(1-methylpiperidin-4-yl)propan-2-yl]phenyl]-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is WQCVAARHHACTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O/c1-26(2,20-11-15-32(3)16-12-20)19-6-8-21(9-7-19)31-25(33)23-5-4-13-28-24(23)29-17-22-10-14-27-18-30-22/h4-10,13-14,18,20H,11-12,15-17H2,1-3H3,(H,28,29)(H,31,33).
What are the key properties of N-[4-[2-(1-methylpiperidin-4-yl)propan-2-yl]phenyl]-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxamide?
N-[4-[2-(1-methylpiperidin-4-yl)propan-2-yl]phenyl]-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 444.58 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1-methylpiperidin-4-yl)propan-2-yl]phenyl]-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 22498887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).