N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide

C16H25N5O2 — CID 20959342

IUPACN-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cnc(N2CCCC2)nc1
InChIInChI=1S/C16H25N5O2/c22-15(17-4-3-5-20-8-10-23-11-9-20)14-12-18-16(19-13-14)21-6-1-2-7-21/h12-13H,1-11H2,(H,17,22)
InChIKeyFLRHCSUFEGYDOR-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.53
Rot. Bonds6

About N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide

N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide (PubChem CID 20959342) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
PubChem CID20959342
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC NameN-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cnc(N2CCCC2)nc1
InChIInChI=1S/C16H25N5O2/c22-15(17-4-3-5-20-8-10-23-11-9-20)14-12-18-16(19-13-14)21-6-1-2-7-21/h12-13H,1-11H2,(H,17,22)
InChIKeyFLRHCSUFEGYDOR-UHFFFAOYSA-N
XLogP0.53
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-morpholin-4-ylpropyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 84570657
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 51499028
2-N,5-N-bis(3-morpholin-4-ylpropyl)pyridine-2,5-dicarboxamide
CID 4595283
2-(4-formylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
CID 109253039
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
N-(3-methoxypropyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250092
N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide;hydrochloride
CID 2909951
4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646
N-(3-morpholin-4-ylpropyl)-4-(6-piperidin-1-ylpyridazin-3-yl)benzamide
CID 53098773
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
2-(cyclopentylamino)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
CID 109249721
5-carbamothioyl-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 63724916

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide (CID 20959342) is N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide is O=C(NCCCN1CCOCC1)c1cnc(N2CCCC2)nc1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The InChIKey is FLRHCSUFEGYDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c22-15(17-4-3-5-20-8-10-23-11-9-20)14-12-18-16(19-13-14)21-6-1-2-7-21/h12-13H,1-11H2,(H,17,22).
What are the key properties of N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 20959342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).