N-[4-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide

C22H24N4O4 — CID 55671213

IUPACN-[4-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)C2CCCN2C(=O)C2CC2)ccc1NC(=O)c1cccnc1
InChIInChI=1S/C22H24N4O4/c1-30-19-12-16(8-9-17(19)25-20(27)15-4-2-10-23-13-15)24-21(28)18-5-3-11-26(18)22(29)14-6-7-14/h2,4,8-10,12-14,18H,3,5-7,11H2,1H3,(H,24,28)(H,25,27)
InChIKeyDUQNYMCROVOOQG-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.68
Rot. Bonds6

About N-[4-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide

N-[4-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide (PubChem CID 55671213) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[4-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide
PubChem CID55671213
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC NameN-[4-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)C2CCCN2C(=O)C2CC2)ccc1NC(=O)c1cccnc1
InChIInChI=1S/C22H24N4O4/c1-30-19-12-16(8-9-17(19)25-20(27)15-4-2-10-23-13-15)24-21(28)18-5-3-11-26(18)22(29)14-6-7-14/h2,4,8-10,12-14,18H,3,5-7,11H2,1H3,(H,24,28)(H,25,27)
InChIKeyDUQNYMCROVOOQG-UHFFFAOYSA-N
XLogP2.68
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide (CID 55671213) is N-[4-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide is COc1cc(NC(=O)C2CCCN2C(=O)C2CC2)ccc1NC(=O)c1cccnc1.
What is the InChIKey of N-[4-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide?
The InChIKey is DUQNYMCROVOOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-30-19-12-16(8-9-17(19)25-20(27)15-4-2-10-23-13-15)24-21(28)18-5-3-11-26(18)22(29)14-6-7-14/h2,4,8-10,12-14,18H,3,5-7,11H2,1H3,(H,24,28)(H,25,27).
What are the key properties of N-[4-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide?
N-[4-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 55671213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).