N-ethyl-4-[[4-(ethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxamide

C14H24N6O — CID 50974730

IUPACN-ethyl-4-[[4-(ethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(Nc2nccc(NCC)n2)CC1
InChIInChI=1S/C14H24N6O/c1-3-15-12-5-8-17-13(19-12)18-11-6-9-20(10-7-11)14(21)16-4-2/h5,8,11H,3-4,6-7,9-10H2,1-2H3,(H,16,21)(H2,15,17,18,19)
InChIKeyPDABXIUCCYABCX-UHFFFAOYSA-N
MW292.39 g/mol
LogP1.51
Rot. Bonds5

About N-ethyl-4-[[4-(ethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxamide

N-ethyl-4-[[4-(ethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxamide (PubChem CID 50974730) has the molecular formula C14H24N6O and a molecular weight of 292.39 g/mol. Its IUPAC name is N-ethyl-4-[[4-(ethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[[4-(ethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxamide
PubChem CID50974730
Molecular FormulaC14H24N6O
Molecular Weight292.39 g/mol
Exact Mass292.20
IUPAC NameN-ethyl-4-[[4-(ethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(Nc2nccc(NCC)n2)CC1
InChIInChI=1S/C14H24N6O/c1-3-15-12-5-8-17-13(19-12)18-11-6-9-20(10-7-11)14(21)16-4-2/h5,8,11H,3-4,6-7,9-10H2,1-2H3,(H,16,21)(H2,15,17,18,19)
InChIKeyPDABXIUCCYABCX-UHFFFAOYSA-N
XLogP1.51
TPSA82.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[4-(ethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxamide?
The IUPAC name of N-ethyl-4-[[4-(ethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxamide (CID 50974730) is N-ethyl-4-[[4-(ethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-[[4-(ethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxamide?
The canonical SMILES for N-ethyl-4-[[4-(ethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxamide is CCNC(=O)N1CCC(Nc2nccc(NCC)n2)CC1.
What is the InChIKey of N-ethyl-4-[[4-(ethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxamide?
The InChIKey is PDABXIUCCYABCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O/c1-3-15-12-5-8-17-13(19-12)18-11-6-9-20(10-7-11)14(21)16-4-2/h5,8,11H,3-4,6-7,9-10H2,1-2H3,(H,16,21)(H2,15,17,18,19).
What are the key properties of N-ethyl-4-[[4-(ethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxamide?
N-ethyl-4-[[4-(ethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxamide has a molecular weight of 292.39 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[4-(ethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxamide is sourced from PubChem (CID 50974730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).