N-[[(2R)-oxolan-2-yl]methyl]-4-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]benzamide

C25H33N5O3 — CID 54302049

IUPACN-[[(2R)-oxolan-2-yl]methyl]-4-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]benzamide
SMILESCC(C)Nc1cccnc1N1CCN(C(=O)c2ccc(C(=O)NC[C@H]3CCCO3)cc2)CC1
InChIInChI=1S/C25H33N5O3/c1-18(2)28-22-6-3-11-26-23(22)29-12-14-30(15-13-29)25(32)20-9-7-19(8-10-20)24(31)27-17-21-5-4-16-33-21/h3,6-11,18,21,28H,4-5,12-17H2,1-2H3,(H,27,31)/t21-/m1/s1
InChIKeySEXGQXCQNOXFKW-OAQYLSRUSA-N
MW451.57 g/mol
LogP2.77
Rot. Bonds7

About N-[[(2R)-oxolan-2-yl]methyl]-4-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]benzamide

N-[[(2R)-oxolan-2-yl]methyl]-4-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]benzamide (PubChem CID 54302049) has the molecular formula C25H33N5O3 and a molecular weight of 451.57 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-4-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]benzamide.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-4-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]benzamide
PubChem CID54302049
Molecular FormulaC25H33N5O3
Molecular Weight451.57 g/mol
Exact Mass451.26
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-4-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]benzamide
SMILESCC(C)Nc1cccnc1N1CCN(C(=O)c2ccc(C(=O)NC[C@H]3CCCO3)cc2)CC1
InChIInChI=1S/C25H33N5O3/c1-18(2)28-22-6-3-11-26-23(22)29-12-14-30(15-13-29)25(32)20-9-7-19(8-10-20)24(31)27-17-21-5-4-16-33-21/h3,6-11,18,21,28H,4-5,12-17H2,1-2H3,(H,27,31)/t21-/m1/s1
InChIKeySEXGQXCQNOXFKW-OAQYLSRUSA-N
XLogP2.77
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[(2R)-oxolan-2-yl]methyl]-4-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]benzamide with MolForge

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Related Compounds

6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 18362852
2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 46084284
2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 92760589
N-(oxolan-2-ylmethyl)-4-(4-phenylpiperazine-1-carbonyl)benzamide
CID 109045596
N-[(2S)-butan-2-yl]-4-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
CID 92756864
N-(1-hydroxy-3-methylbutan-2-yl)-4-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]benzamide
CID 67670015
4-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 92761567
2-[4-(4-methylpentanoyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 92756835
N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-4-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]benzamide
CID 142677368
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 42691389
[1-[4-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]benzoyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 142637069
2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 92756865

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-4-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]benzamide?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-4-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]benzamide (CID 54302049) is N-[[(2R)-oxolan-2-yl]methyl]-4-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]benzamide.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-4-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]benzamide?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-4-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]benzamide is CC(C)Nc1cccnc1N1CCN(C(=O)c2ccc(C(=O)NC[C@H]3CCCO3)cc2)CC1.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-4-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]benzamide?
The InChIKey is SEXGQXCQNOXFKW-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H33N5O3/c1-18(2)28-22-6-3-11-26-23(22)29-12-14-30(15-13-29)25(32)20-9-7-19(8-10-20)24(31)27-17-21-5-4-16-33-21/h3,6-11,18,21,28H,4-5,12-17H2,1-2H3,(H,27,31)/t21-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-4-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]benzamide?
N-[[(2R)-oxolan-2-yl]methyl]-4-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]benzamide has a molecular weight of 451.57 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-4-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]benzamide is sourced from PubChem (CID 54302049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).