6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

C23H30N6O3 — CID 18362852

IUPAC6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESCCNc1cccnc1N1CCN(C(=O)c2ccc(C(=O)NCC3CCCO3)cn2)CC1
InChIInChI=1S/C23H30N6O3/c1-2-24-19-6-3-9-25-21(19)28-10-12-29(13-11-28)23(31)20-8-7-17(15-26-20)22(30)27-16-18-5-4-14-32-18/h3,6-9,15,18,24H,2,4-5,10-14,16H2,1H3,(H,27,30)
InChIKeyOVTYJLFAUAOFKG-UHFFFAOYSA-N
MW438.53 g/mol
LogP1.78
Rot. Bonds7

About 6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 18362852) has the molecular formula C23H30N6O3 and a molecular weight of 438.53 g/mol. Its IUPAC name is 6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID18362852
Molecular FormulaC23H30N6O3
Molecular Weight438.53 g/mol
Exact Mass438.24
IUPAC Name6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESCCNc1cccnc1N1CCN(C(=O)c2ccc(C(=O)NCC3CCCO3)cn2)CC1
InChIInChI=1S/C23H30N6O3/c1-2-24-19-6-3-9-25-21(19)28-10-12-29(13-11-28)23(31)20-8-7-17(15-26-20)22(30)27-16-18-5-4-14-32-18/h3,6-9,15,18,24H,2,4-5,10-14,16H2,1H3,(H,27,30)
InChIKeyOVTYJLFAUAOFKG-UHFFFAOYSA-N
XLogP1.78
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(2R)-oxolan-2-yl]methyl]-4-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]benzamide
CID 54302049
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
2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 92756865
N-[(2S)-butan-2-yl]-4-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
CID 92756864
N-(oxolan-2-ylmethyl)-6-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 68739534
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 42691389
N-(oxolan-2-ylmethyl)-6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide
CID 68738911
2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 3192331
N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 3192318
4-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 92761567
N-(cyclohexylmethyl)-4-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
CID 92757124

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (CID 18362852) is 6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is CCNc1cccnc1N1CCN(C(=O)c2ccc(C(=O)NCC3CCCO3)cn2)CC1.
What is the InChIKey of 6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is OVTYJLFAUAOFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O3/c1-2-24-19-6-3-9-25-21(19)28-10-12-29(13-11-28)23(31)20-8-7-17(15-26-20)22(30)27-16-18-5-4-14-32-18/h3,6-9,15,18,24H,2,4-5,10-14,16H2,1H3,(H,27,30).
What are the key properties of 6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 18362852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).