phenyl N-[5-carbamoyl-6-[4-(morpholine-4-carbonyl)anilino]-2-pyridinyl]-N-piperidin-3-ylcarbamate

C29H32N6O5 — CID 57489603

IUPACphenyl N-[5-carbamoyl-6-[4-(morpholine-4-carbonyl)anilino]-2-pyridinyl]-N-piperidin-3-ylcarbamate
SMILESNC(=O)c1ccc(N(C(=O)Oc2ccccc2)C2CCCNC2)nc1Nc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C29H32N6O5/c30-26(36)24-12-13-25(35(22-5-4-14-31-19-22)29(38)40-23-6-2-1-3-7-23)33-27(24)32-21-10-8-20(9-11-21)28(37)34-15-17-39-18-16-34/h1-3,6-13,22,31H,4-5,14-19H2,(H2,30,36)(H,32,33)
InChIKeyDBBIDSHADXABFZ-UHFFFAOYSA-N
MW544.61 g/mol
LogP3.15
Rot. Bonds7

About phenyl N-[5-carbamoyl-6-[4-(morpholine-4-carbonyl)anilino]-2-pyridinyl]-N-piperidin-3-ylcarbamate

phenyl N-[5-carbamoyl-6-[4-(morpholine-4-carbonyl)anilino]-2-pyridinyl]-N-piperidin-3-ylcarbamate (PubChem CID 57489603) has the molecular formula C29H32N6O5 and a molecular weight of 544.61 g/mol. Its IUPAC name is phenyl N-[5-carbamoyl-6-[4-(morpholine-4-carbonyl)anilino]-2-pyridinyl]-N-piperidin-3-ylcarbamate.

Molecular Properties

Compound Namephenyl N-[5-carbamoyl-6-[4-(morpholine-4-carbonyl)anilino]-2-pyridinyl]-N-piperidin-3-ylcarbamate
PubChem CID57489603
Molecular FormulaC29H32N6O5
Molecular Weight544.61 g/mol
Exact Mass544.24
IUPAC Namephenyl N-[5-carbamoyl-6-[4-(morpholine-4-carbonyl)anilino]-2-pyridinyl]-N-piperidin-3-ylcarbamate
SMILESNC(=O)c1ccc(N(C(=O)Oc2ccccc2)C2CCCNC2)nc1Nc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C29H32N6O5/c30-26(36)24-12-13-25(35(22-5-4-14-31-19-22)29(38)40-23-6-2-1-3-7-23)33-27(24)32-21-10-8-20(9-11-21)28(37)34-15-17-39-18-16-34/h1-3,6-13,22,31H,4-5,14-19H2,(H2,30,36)(H,32,33)
InChIKeyDBBIDSHADXABFZ-UHFFFAOYSA-N
XLogP3.15
TPSA139.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.61
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

tert-butyl N-[5-carbamoyl-4-[4-(morpholine-4-carbonyl)anilino]-2-pyridinyl]-N-[(3R)-piperidin-3-yl]carbamate
CID 67128178
4-[4-(4-methylpiperazin-1-yl)anilino]-2-[4-(morpholine-4-carbonyl)anilino]pyrimidine-5-carboxamide
CID 177309965
5-[methyl-[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]-3-[4-(morpholine-4-carbonyl)anilino]pyrazine-2-carboxamide
CID 118114761
3-[4-(morpholine-4-carbonyl)anilino]pyrazine-2-carboxamide
CID 144857846
5-[[1-[4-(dimethylamino)but-2-enoyl]piperidin-3-yl]-methylamino]-3-[4-(morpholine-4-carbonyl)anilino]pyrazine-2-carboxamide
CID 123844722
5-[[1-[(E)-4-[cyclopropyl(methyl)amino]but-2-enoyl]piperidin-3-yl]-methylamino]-3-[4-(morpholine-4-carbonyl)anilino]pyrazine-2-carboxamide
CID 118114663
phenyl N-[4-(piperidine-1-carbonyl)phenyl]carbamate
CID 154636920
4-(morpholine-4-carbonyl)-N-piperidin-3-ylbenzenesulfonamide
CID 119964057
2-[(3S)-3-aminopiperidin-1-yl]-4-[3-(morpholine-4-carbonyl)-5-phenylanilino]pyrimidine-5-carboxamide
CID 150126446
N-[4-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119712378
3-[3-(4-methoxyanilino)piperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide
CID 118143269
5-[4-(morpholine-4-carbonyl)anilino]-3-piperidin-1-yl-1,2,4-triazine-6-carboxamide;1-prop-1-en-2-ylpiperidine-4-carboxamide
CID 144858006

Frequently Asked Questions

What is the IUPAC name of phenyl N-[5-carbamoyl-6-[4-(morpholine-4-carbonyl)anilino]-2-pyridinyl]-N-piperidin-3-ylcarbamate?
The IUPAC name of phenyl N-[5-carbamoyl-6-[4-(morpholine-4-carbonyl)anilino]-2-pyridinyl]-N-piperidin-3-ylcarbamate (CID 57489603) is phenyl N-[5-carbamoyl-6-[4-(morpholine-4-carbonyl)anilino]-2-pyridinyl]-N-piperidin-3-ylcarbamate.
What is the SMILES notation for phenyl N-[5-carbamoyl-6-[4-(morpholine-4-carbonyl)anilino]-2-pyridinyl]-N-piperidin-3-ylcarbamate?
The canonical SMILES for phenyl N-[5-carbamoyl-6-[4-(morpholine-4-carbonyl)anilino]-2-pyridinyl]-N-piperidin-3-ylcarbamate is NC(=O)c1ccc(N(C(=O)Oc2ccccc2)C2CCCNC2)nc1Nc1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of phenyl N-[5-carbamoyl-6-[4-(morpholine-4-carbonyl)anilino]-2-pyridinyl]-N-piperidin-3-ylcarbamate?
The InChIKey is DBBIDSHADXABFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O5/c30-26(36)24-12-13-25(35(22-5-4-14-31-19-22)29(38)40-23-6-2-1-3-7-23)33-27(24)32-21-10-8-20(9-11-21)28(37)34-15-17-39-18-16-34/h1-3,6-13,22,31H,4-5,14-19H2,(H2,30,36)(H,32,33).
What are the key properties of phenyl N-[5-carbamoyl-6-[4-(morpholine-4-carbonyl)anilino]-2-pyridinyl]-N-piperidin-3-ylcarbamate?
phenyl N-[5-carbamoyl-6-[4-(morpholine-4-carbonyl)anilino]-2-pyridinyl]-N-piperidin-3-ylcarbamate has a molecular weight of 544.61 g/mol, XLogP of 3.15, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[5-carbamoyl-6-[4-(morpholine-4-carbonyl)anilino]-2-pyridinyl]-N-piperidin-3-ylcarbamate is sourced from PubChem (CID 57489603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).