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

C22H31N7O2 — CID 18362862

IUPACN-[2-(dimethylamino)ethyl]-6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]pyridine-3-carboxamide
SMILESCCNc1cccnc1N1CCN(C(=O)c2ccc(C(=O)NCCN(C)C)cn2)CC1
InChIInChI=1S/C22H31N7O2/c1-4-23-18-6-5-9-24-20(18)28-12-14-29(15-13-28)22(31)19-8-7-17(16-26-19)21(30)25-10-11-27(2)3/h5-9,16,23H,4,10-15H2,1-3H3,(H,25,30)
InChIKeyGYHDFHKJSHCTGX-UHFFFAOYSA-N
MW425.54 g/mol
LogP1.16
Rot. Bonds8

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

N-[2-(dimethylamino)ethyl]-6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]pyridine-3-carboxamide (PubChem CID 18362862) has the molecular formula C22H31N7O2 and a molecular weight of 425.54 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]pyridine-3-carboxamide
PubChem CID18362862
Molecular FormulaC22H31N7O2
Molecular Weight425.54 g/mol
Exact Mass425.25
IUPAC NameN-[2-(dimethylamino)ethyl]-6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]pyridine-3-carboxamide
SMILESCCNc1cccnc1N1CCN(C(=O)c2ccc(C(=O)NCCN(C)C)cn2)CC1
InChIInChI=1S/C22H31N7O2/c1-4-23-18-6-5-9-24-20(18)28-12-14-29(15-13-28)22(31)19-8-7-17(16-26-19)21(30)25-10-11-27(2)3/h5-9,16,23H,4,10-15H2,1-3H3,(H,25,30)
InChIKeyGYHDFHKJSHCTGX-UHFFFAOYSA-N
XLogP1.16
TPSA93.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 18362852
ethyl 2-[[6-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]pyridine-3-carbonyl]amino]acetate
CID 142640041
[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 57050933
[6-[4-[3-(2-methylpropylamino)-2-pyridinyl]piperazine-1-carbonyl]-3-pyridinyl]-piperazin-1-ylmethanone
CID 142640737
6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 18362791
(4-cyclopropylpiperazin-1-yl)-[6-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-3-pyridinyl]methanone
CID 142640730
2-N-(2-aminophenyl)-5-N-[2-(dimethylamino)ethyl]pyridine-2,5-dicarboxamide
CID 10019343
N-[2-(dimethylamino)ethyl]-6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109096318
N-[2-(dimethylamino)ethyl]-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-4-carboxamide
CID 109083438
N-[2-(dimethylamino)ethyl]-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109083595
N-[2-(dimethylamino)ethyl]-5-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-2-carboxamide
CID 109185331
[2-[2-(dimethylamino)ethylamino]pyrimidin-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109252908

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]pyridine-3-carboxamide (CID 18362862) is N-[2-(dimethylamino)ethyl]-6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]pyridine-3-carboxamide is CCNc1cccnc1N1CCN(C(=O)c2ccc(C(=O)NCCN(C)C)cn2)CC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]pyridine-3-carboxamide?
The InChIKey is GYHDFHKJSHCTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N7O2/c1-4-23-18-6-5-9-24-20(18)28-12-14-29(15-13-28)22(31)19-8-7-17(16-26-19)21(30)25-10-11-27(2)3/h5-9,16,23H,4,10-15H2,1-3H3,(H,25,30).
What are the key properties of N-[2-(dimethylamino)ethyl]-6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]pyridine-3-carboxamide?
N-[2-(dimethylamino)ethyl]-6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]pyridine-3-carboxamide has a molecular weight of 425.54 g/mol, XLogP of 1.16, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-6-[4-[3-(ethylamino)-2-pyridinyl]piperazine-1-carbonyl]pyridine-3-carboxamide is sourced from PubChem (CID 18362862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).