6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide

C22H29N7O3 — CID 18362791

IUPAC6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
SMILESNc1cccnc1N1CCN(C(=O)c2ccc(C(=O)NCCN3CCOCC3)cn2)CC1
InChIInChI=1S/C22H29N7O3/c23-18-2-1-5-24-20(18)28-8-10-29(11-9-28)22(31)19-4-3-17(16-26-19)21(30)25-6-7-27-12-14-32-15-13-27/h1-5,16H,6-15,23H2,(H,25,30)
InChIKeyNBICMWPESOQAIO-UHFFFAOYSA-N
MW439.52 g/mol
LogP0.08
Rot. Bonds6

About 6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide

6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide (PubChem CID 18362791) has the molecular formula C22H29N7O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is 6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
PubChem CID18362791
Molecular FormulaC22H29N7O3
Molecular Weight439.52 g/mol
Exact Mass439.23
IUPAC Name6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
SMILESNc1cccnc1N1CCN(C(=O)c2ccc(C(=O)NCCN3CCOCC3)cn2)CC1
InChIInChI=1S/C22H29N7O3/c23-18-2-1-5-24-20(18)28-8-10-29(11-9-28)22(31)19-4-3-17(16-26-19)21(30)25-6-7-27-12-14-32-15-13-27/h1-5,16H,6-15,23H2,(H,25,30)
InChIKeyNBICMWPESOQAIO-UHFFFAOYSA-N
XLogP0.08
TPSA116.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide with MolForge

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Related Compounds

2-N,5-N-bis(3-morpholin-4-ylpropyl)pyridine-2,5-dicarboxamide
CID 4595283
2-(4-acetylpiperazine-1-carbonyl)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109083708
6-methoxy-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 47126571
N-[2-(dimethylamino)ethyl]-6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]pyridine-3-carboxamide
CID 18362862
N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 977791
1-[4-[5-(2-morpholin-4-ylethylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109185781
5-(2-pyrrolidin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 60725088
[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181785
[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109154014
[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4155185
3-chloro-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 71690241
[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182540

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide (CID 18362791) is 6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide is Nc1cccnc1N1CCN(C(=O)c2ccc(C(=O)NCCN3CCOCC3)cn2)CC1.
What is the InChIKey of 6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide?
The InChIKey is NBICMWPESOQAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O3/c23-18-2-1-5-24-20(18)28-8-10-29(11-9-28)22(31)19-4-3-17(16-26-19)21(30)25-6-7-27-12-14-32-15-13-27/h1-5,16H,6-15,23H2,(H,25,30).
What are the key properties of 6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide?
6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 18362791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).