N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-methylpyridine-2-carboxamide

C22H32N4O3 — CID 165426973

IUPACN-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC[C@@H]2CC[C@H](CC(=O)N3CCOCC3)N2CC2CC2)n1
InChIInChI=1S/C22H32N4O3/c1-16-3-2-4-20(24-16)22(28)23-14-19-8-7-18(26(19)15-17-5-6-17)13-21(27)25-9-11-29-12-10-25/h2-4,17-19H,5-15H2,1H3,(H,23,28)/t18-,19+/m1/s1
InChIKeyRQLGYUDDTYTLKH-MOPGFXCFSA-N
MW400.52 g/mol
LogP1.61
Rot. Bonds7

About N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-methylpyridine-2-carboxamide

N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-methylpyridine-2-carboxamide (PubChem CID 165426973) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-methylpyridine-2-carboxamide
PubChem CID165426973
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC NameN-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC[C@@H]2CC[C@H](CC(=O)N3CCOCC3)N2CC2CC2)n1
InChIInChI=1S/C22H32N4O3/c1-16-3-2-4-20(24-16)22(28)23-14-19-8-7-18(26(19)15-17-5-6-17)13-21(27)25-9-11-29-12-10-25/h2-4,17-19H,5-15H2,1H3,(H,23,28)/t18-,19+/m1/s1
InChIKeyRQLGYUDDTYTLKH-MOPGFXCFSA-N
XLogP1.61
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-5-methylpyrazine-2-carboxamide
CID 165425887
N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-methylpyridine-3-carboxamide
CID 166624349
N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 166617183
N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-4-hydroxy-2-methylbenzamide
CID 166612366
N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 165424010
N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-5-methylpyridine-3-carboxamide
CID 166612556
N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-3-hydroxy-4-methylbenzamide
CID 166621555
N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-3,4-dimethylbenzamide;formic acid
CID 171707902
N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-4-methylpyrimidine-5-carboxamide
CID 166618901
N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-(4-hydroxyphenyl)acetamide
CID 166614078
2-amino-N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-1,3-thiazole-5-carboxamide
CID 166618679
N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-1-propan-2-ylpyrazole-4-carboxamide;formic acid
CID 171712819

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-methylpyridine-2-carboxamide (CID 165426973) is N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)NC[C@@H]2CC[C@H](CC(=O)N3CCOCC3)N2CC2CC2)n1.
What is the InChIKey of N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-methylpyridine-2-carboxamide?
The InChIKey is RQLGYUDDTYTLKH-MOPGFXCFSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-16-3-2-4-20(24-16)22(28)23-14-19-8-7-18(26(19)15-17-5-6-17)13-21(27)25-9-11-29-12-10-25/h2-4,17-19H,5-15H2,1H3,(H,23,28)/t18-,19+/m1/s1.
What are the key properties of N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-methylpyridine-2-carboxamide?
N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-methylpyridine-2-carboxamide has a molecular weight of 400.52 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 165426973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).