6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-pyrrolidin-1-ylpyridine-3-carboxamide

C18H22N6O2 — CID 155512060

IUPAC6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCCNC(=O)Nc1cc(N2CCCC2)c(C(=O)Nc2cccnc2)cn1
InChIInChI=1S/C18H22N6O2/c1-2-20-18(26)23-16-10-15(24-8-3-4-9-24)14(12-21-16)17(25)22-13-6-5-7-19-11-13/h5-7,10-12H,2-4,8-9H2,1H3,(H,22,25)(H2,20,21,23,26)
InChIKeyVBIBYFOASQLXQR-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.47
Rot. Bonds5

About 6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-pyrrolidin-1-ylpyridine-3-carboxamide

6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 155512060) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID155512060
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCCNC(=O)Nc1cc(N2CCCC2)c(C(=O)Nc2cccnc2)cn1
InChIInChI=1S/C18H22N6O2/c1-2-20-18(26)23-16-10-15(24-8-3-4-9-24)14(12-21-16)17(25)22-13-6-5-7-19-11-13/h5-7,10-12H,2-4,8-9H2,1H3,(H,22,25)(H2,20,21,23,26)
InChIKeyVBIBYFOASQLXQR-UHFFFAOYSA-N
XLogP2.47
TPSA99.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of 6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-pyrrolidin-1-ylpyridine-3-carboxamide (CID 155512060) is 6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for 6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-pyrrolidin-1-ylpyridine-3-carboxamide is CCNC(=O)Nc1cc(N2CCCC2)c(C(=O)Nc2cccnc2)cn1.
What is the InChIKey of 6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is VBIBYFOASQLXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-2-20-18(26)23-16-10-15(24-8-3-4-9-24)14(12-21-16)17(25)22-13-6-5-7-19-11-13/h5-7,10-12H,2-4,8-9H2,1H3,(H,22,25)(H2,20,21,23,26).
What are the key properties of 6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-pyrrolidin-1-ylpyridine-3-carboxamide?
6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 155512060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).