N-[(2R)-1-(methylamino)-3-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]-1-oxopropan-2-yl]-5-phenylpyridine-2-carboxamide

C33H35N5O4 — CID 163359809

IUPACN-[(2R)-1-(methylamino)-3-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]-1-oxopropan-2-yl]-5-phenylpyridine-2-carboxamide
SMILESCNC(=O)[C@@H](CC1CCN(C(=O)Cc2ccc3[nH]c(=O)cc(C)c3c2)CC1)NC(=O)c1ccc(-c2ccccc2)cn1
InChIInChI=1S/C33H35N5O4/c1-21-16-30(39)36-27-10-8-23(17-26(21)27)19-31(40)38-14-12-22(13-15-38)18-29(32(41)34-2)37-33(42)28-11-9-25(20-35-28)24-6-4-3-5-7-24/h3-11,16-17,20,22,29H,12-15,18-19H2,1-2H3,(H,34,41)(H,36,39)(H,37,42)/t29-/m1/s1
InChIKeyKTPZIQXMURKYQT-GDLZYMKVSA-N
MW565.67 g/mol
LogP3.61
Rot. Bonds8

About N-[(2R)-1-(methylamino)-3-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]-1-oxopropan-2-yl]-5-phenylpyridine-2-carboxamide

N-[(2R)-1-(methylamino)-3-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]-1-oxopropan-2-yl]-5-phenylpyridine-2-carboxamide (PubChem CID 163359809) has the molecular formula C33H35N5O4 and a molecular weight of 565.67 g/mol. Its IUPAC name is N-[(2R)-1-(methylamino)-3-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]-1-oxopropan-2-yl]-5-phenylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(methylamino)-3-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]-1-oxopropan-2-yl]-5-phenylpyridine-2-carboxamide
PubChem CID163359809
Molecular FormulaC33H35N5O4
Molecular Weight565.67 g/mol
Exact Mass565.27
IUPAC NameN-[(2R)-1-(methylamino)-3-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]-1-oxopropan-2-yl]-5-phenylpyridine-2-carboxamide
SMILESCNC(=O)[C@@H](CC1CCN(C(=O)Cc2ccc3[nH]c(=O)cc(C)c3c2)CC1)NC(=O)c1ccc(-c2ccccc2)cn1
InChIInChI=1S/C33H35N5O4/c1-21-16-30(39)36-27-10-8-23(17-26(21)27)19-31(40)38-14-12-22(13-15-38)18-29(32(41)34-2)37-33(42)28-11-9-25(20-35-28)24-6-4-3-5-7-24/h3-11,16-17,20,22,29H,12-15,18-19H2,1-2H3,(H,34,41)(H,36,39)(H,37,42)/t29-/m1/s1
InChIKeyKTPZIQXMURKYQT-GDLZYMKVSA-N
XLogP3.61
TPSA124.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.67
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(methylamino)-3-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]-1-oxopropan-2-yl]-5-phenylpyridine-2-carboxamide?
The IUPAC name of N-[(2R)-1-(methylamino)-3-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]-1-oxopropan-2-yl]-5-phenylpyridine-2-carboxamide (CID 163359809) is N-[(2R)-1-(methylamino)-3-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]-1-oxopropan-2-yl]-5-phenylpyridine-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-(methylamino)-3-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]-1-oxopropan-2-yl]-5-phenylpyridine-2-carboxamide?
The canonical SMILES for N-[(2R)-1-(methylamino)-3-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]-1-oxopropan-2-yl]-5-phenylpyridine-2-carboxamide is CNC(=O)[C@@H](CC1CCN(C(=O)Cc2ccc3[nH]c(=O)cc(C)c3c2)CC1)NC(=O)c1ccc(-c2ccccc2)cn1.
What is the InChIKey of N-[(2R)-1-(methylamino)-3-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]-1-oxopropan-2-yl]-5-phenylpyridine-2-carboxamide?
The InChIKey is KTPZIQXMURKYQT-GDLZYMKVSA-N. The full InChI is InChI=1S/C33H35N5O4/c1-21-16-30(39)36-27-10-8-23(17-26(21)27)19-31(40)38-14-12-22(13-15-38)18-29(32(41)34-2)37-33(42)28-11-9-25(20-35-28)24-6-4-3-5-7-24/h3-11,16-17,20,22,29H,12-15,18-19H2,1-2H3,(H,34,41)(H,36,39)(H,37,42)/t29-/m1/s1.
What are the key properties of N-[(2R)-1-(methylamino)-3-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]-1-oxopropan-2-yl]-5-phenylpyridine-2-carboxamide?
N-[(2R)-1-(methylamino)-3-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]-1-oxopropan-2-yl]-5-phenylpyridine-2-carboxamide has a molecular weight of 565.67 g/mol, XLogP of 3.61, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(methylamino)-3-[1-[2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetyl]piperidin-4-yl]-1-oxopropan-2-yl]-5-phenylpyridine-2-carboxamide is sourced from PubChem (CID 163359809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).