1-(2-methoxypyridine-4-carbonyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide

C18H21N5O3 — CID 56884685

IUPAC1-(2-methoxypyridine-4-carbonyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide
SMILESCOc1cc(C(=O)N2CCNCC2C(=O)NCc2ccccn2)ccn1
InChIInChI=1S/C18H21N5O3/c1-26-16-10-13(5-7-21-16)18(25)23-9-8-19-12-15(23)17(24)22-11-14-4-2-3-6-20-14/h2-7,10,15,19H,8-9,11-12H2,1H3,(H,22,24)
InChIKeyHWQUPRXIJFYFPR-UHFFFAOYSA-N
MW355.40 g/mol
LogP0.22
Rot. Bonds5

About 1-(2-methoxypyridine-4-carbonyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide

1-(2-methoxypyridine-4-carbonyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide (PubChem CID 56884685) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 1-(2-methoxypyridine-4-carbonyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name1-(2-methoxypyridine-4-carbonyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide
PubChem CID56884685
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name1-(2-methoxypyridine-4-carbonyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide
SMILESCOc1cc(C(=O)N2CCNCC2C(=O)NCc2ccccn2)ccn1
InChIInChI=1S/C18H21N5O3/c1-26-16-10-13(5-7-21-16)18(25)23-9-8-19-12-15(23)17(24)22-11-14-4-2-3-6-20-14/h2-7,10,15,19H,8-9,11-12H2,1H3,(H,22,24)
InChIKeyHWQUPRXIJFYFPR-UHFFFAOYSA-N
XLogP0.22
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-(2-ethoxybenzoyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide
CID 95717707
1-(pyridazine-3-carbonyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide
CID 56885089
(2R)-N-(pyridin-2-ylmethyl)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazine-2-carboxamide
CID 95717599
3-(4-methylbenzoyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42745306
1-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 113004430
N-(pyridin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 56832240
(3S)-4,8-bis(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137595
(2-methoxy-4-pyridinyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331808
5-(6-methoxypyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 131638420
N-ethyl-1-(5-iodothiophene-3-carbonyl)piperazine-2-carboxamide
CID 79694089
N-ethyl-1-(3-methoxypyridine-4-carbonyl)piperazine-2-carboxamide
CID 105064126
(2R)-1-(1-methylindole-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide
CID 95727694

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxypyridine-4-carbonyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide?
The IUPAC name of 1-(2-methoxypyridine-4-carbonyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide (CID 56884685) is 1-(2-methoxypyridine-4-carbonyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide.
What is the SMILES notation for 1-(2-methoxypyridine-4-carbonyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide?
The canonical SMILES for 1-(2-methoxypyridine-4-carbonyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide is COc1cc(C(=O)N2CCNCC2C(=O)NCc2ccccn2)ccn1.
What is the InChIKey of 1-(2-methoxypyridine-4-carbonyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide?
The InChIKey is HWQUPRXIJFYFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-26-16-10-13(5-7-21-16)18(25)23-9-8-19-12-15(23)17(24)22-11-14-4-2-3-6-20-14/h2-7,10,15,19H,8-9,11-12H2,1H3,(H,22,24).
What are the key properties of 1-(2-methoxypyridine-4-carbonyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide?
1-(2-methoxypyridine-4-carbonyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxypyridine-4-carbonyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide is sourced from PubChem (CID 56884685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).