N-[3-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]phenyl]pyridine-3-carboxamide

C22H21N5O3 — CID 55634320

IUPACN-[3-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(C(=O)Nc2ccc(N3CCOCC3)cn2)c1)c1cccnc1
InChIInChI=1S/C22H21N5O3/c28-21(26-20-7-6-19(15-24-20)27-9-11-30-12-10-27)16-3-1-5-18(13-16)25-22(29)17-4-2-8-23-14-17/h1-8,13-15H,9-12H2,(H,25,29)(H,24,26,28)
InChIKeyXTXFJNCYIXJKRT-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.82
Rot. Bonds5

About N-[3-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]phenyl]pyridine-3-carboxamide

N-[3-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 55634320) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-[3-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]phenyl]pyridine-3-carboxamide
PubChem CID55634320
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC NameN-[3-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(C(=O)Nc2ccc(N3CCOCC3)cn2)c1)c1cccnc1
InChIInChI=1S/C22H21N5O3/c28-21(26-20-7-6-19(15-24-20)27-9-11-30-12-10-27)16-3-1-5-18(13-16)25-22(29)17-4-2-8-23-14-17/h1-8,13-15H,9-12H2,(H,25,29)(H,24,26,28)
InChIKeyXTXFJNCYIXJKRT-UHFFFAOYSA-N
XLogP2.82
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-(5-morpholin-4-yl-2-pyridinyl)benzamide
CID 38139828
N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]pyridine-3-carboxamide
CID 113031155
2-chloro-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-4-carboxamide
CID 33447939
N-(5-morpholin-4-yl-2-pyridinyl)-3-(tetrazol-1-yl)benzamide
CID 134053219
N-(2,4-dimorpholin-4-ylphenyl)pyridine-3-carboxamide
CID 24676967
N-(3-acetylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228678
N-[3-[(E)-3-[(5-morpholin-4-yl-2-pyridinyl)amino]-3-oxoprop-1-enyl]phenyl]-3-(trifluoromethyl)benzamide
CID 155125696
N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]pyridine-3-carboxamide
CID 113028773
2-[4-[[3-(pyridine-3-carbonylamino)benzoyl]amino]oxan-4-yl]acetic acid
CID 120521473
N-[4-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55540208
4-fluoro-3,5-dimethyl-N-(5-morpholin-4-yl-2-pyridinyl)benzamide
CID 146084918
5-[3-[(5-morpholin-4-yl-2-pyridinyl)amino]-3-oxoprop-1-enyl]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 155125561

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]phenyl]pyridine-3-carboxamide (CID 55634320) is N-[3-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]phenyl]pyridine-3-carboxamide is O=C(Nc1cccc(C(=O)Nc2ccc(N3CCOCC3)cn2)c1)c1cccnc1.
What is the InChIKey of N-[3-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is XTXFJNCYIXJKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c28-21(26-20-7-6-19(15-24-20)27-9-11-30-12-10-27)16-3-1-5-18(13-16)25-22(29)17-4-2-8-23-14-17/h1-8,13-15H,9-12H2,(H,25,29)(H,24,26,28).
What are the key properties of N-[3-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]phenyl]pyridine-3-carboxamide?
N-[3-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 55634320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).