1-[3-[[4-(methylamino)pyrimidin-2-yl]amino]propyl]piperidine-4-carboxamide

C14H24N6O — CID 50979772

IUPAC1-[3-[[4-(methylamino)pyrimidin-2-yl]amino]propyl]piperidine-4-carboxamide
SMILESCNc1ccnc(NCCCN2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C14H24N6O/c1-16-12-3-7-18-14(19-12)17-6-2-8-20-9-4-11(5-10-20)13(15)21/h3,7,11H,2,4-6,8-10H2,1H3,(H2,15,21)(H2,16,17,18,19)
InChIKeyYWRDRCFXQNDHRP-UHFFFAOYSA-N
MW292.39 g/mol
LogP0.52
Rot. Bonds7

About 1-[3-[[4-(methylamino)pyrimidin-2-yl]amino]propyl]piperidine-4-carboxamide

1-[3-[[4-(methylamino)pyrimidin-2-yl]amino]propyl]piperidine-4-carboxamide (PubChem CID 50979772) has the molecular formula C14H24N6O and a molecular weight of 292.39 g/mol. Its IUPAC name is 1-[3-[[4-(methylamino)pyrimidin-2-yl]amino]propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[[4-(methylamino)pyrimidin-2-yl]amino]propyl]piperidine-4-carboxamide
PubChem CID50979772
Molecular FormulaC14H24N6O
Molecular Weight292.39 g/mol
Exact Mass292.20
IUPAC Name1-[3-[[4-(methylamino)pyrimidin-2-yl]amino]propyl]piperidine-4-carboxamide
SMILESCNc1ccnc(NCCCN2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C14H24N6O/c1-16-12-3-7-18-14(19-12)17-6-2-8-20-9-4-11(5-10-20)13(15)21/h3,7,11H,2,4-6,8-10H2,1H3,(H2,15,21)(H2,16,17,18,19)
InChIKeyYWRDRCFXQNDHRP-UHFFFAOYSA-N
XLogP0.52
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-(methylamino)pyrimidin-2-yl]amino]propyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[[4-(methylamino)pyrimidin-2-yl]amino]propyl]piperidine-4-carboxamide (CID 50979772) is 1-[3-[[4-(methylamino)pyrimidin-2-yl]amino]propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[[4-(methylamino)pyrimidin-2-yl]amino]propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[[4-(methylamino)pyrimidin-2-yl]amino]propyl]piperidine-4-carboxamide is CNc1ccnc(NCCCN2CCC(C(N)=O)CC2)n1.
What is the InChIKey of 1-[3-[[4-(methylamino)pyrimidin-2-yl]amino]propyl]piperidine-4-carboxamide?
The InChIKey is YWRDRCFXQNDHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O/c1-16-12-3-7-18-14(19-12)17-6-2-8-20-9-4-11(5-10-20)13(15)21/h3,7,11H,2,4-6,8-10H2,1H3,(H2,15,21)(H2,16,17,18,19).
What are the key properties of 1-[3-[[4-(methylamino)pyrimidin-2-yl]amino]propyl]piperidine-4-carboxamide?
1-[3-[[4-(methylamino)pyrimidin-2-yl]amino]propyl]piperidine-4-carboxamide has a molecular weight of 292.39 g/mol, XLogP of 0.52, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-(methylamino)pyrimidin-2-yl]amino]propyl]piperidine-4-carboxamide is sourced from PubChem (CID 50979772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).