[1-(5-aminopyridine-2-carbonyl)piperidin-3-yl]methylurea

C13H19N5O2 — CID 81317323

IUPAC[1-(5-aminopyridine-2-carbonyl)piperidin-3-yl]methylurea
SMILESNC(=O)NCC1CCCN(C(=O)c2ccc(N)cn2)C1
InChIInChI=1S/C13H19N5O2/c14-10-3-4-11(16-7-10)12(19)18-5-1-2-9(8-18)6-17-13(15)20/h3-4,7,9H,1-2,5-6,8,14H2,(H3,15,17,20)
InChIKeyPQWWNNRBLLAVHU-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.18
Rot. Bonds3

About [1-(5-aminopyridine-2-carbonyl)piperidin-3-yl]methylurea

[1-(5-aminopyridine-2-carbonyl)piperidin-3-yl]methylurea (PubChem CID 81317323) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is [1-(5-aminopyridine-2-carbonyl)piperidin-3-yl]methylurea.

Molecular Properties

Compound Name[1-(5-aminopyridine-2-carbonyl)piperidin-3-yl]methylurea
PubChem CID81317323
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name[1-(5-aminopyridine-2-carbonyl)piperidin-3-yl]methylurea
SMILESNC(=O)NCC1CCCN(C(=O)c2ccc(N)cn2)C1
InChIInChI=1S/C13H19N5O2/c14-10-3-4-11(16-7-10)12(19)18-5-1-2-9(8-18)6-17-13(15)20/h3-4,7,9H,1-2,5-6,8,14H2,(H3,15,17,20)
InChIKeyPQWWNNRBLLAVHU-UHFFFAOYSA-N
XLogP0.18
TPSA114.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]methylurea
CID 61053733
[1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methylurea
CID 55142865
(5-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211702
[1-(4-chloropyridine-2-carbonyl)piperidin-3-yl]methylurea
CID 61053200
[1-(6-fluoropyridine-3-carbonyl)piperidin-3-yl]methylurea
CID 63978957
[1-(4-amino-2-chlorobenzoyl)piperidin-3-yl]methylurea
CID 61109975
[1-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]methylurea
CID 66388331
[1-(2,6-dichloropyridine-3-carbonyl)piperidin-3-yl]methylurea
CID 106993329
[1-(2-amino-5-hydroxybenzoyl)piperidin-3-yl]methylurea
CID 107074607
[1-(2-amino-5-chlorobenzoyl)piperidin-3-yl]methylurea
CID 61109976
[1-(3-amino-4-methylbenzoyl)piperidin-3-yl]methylurea
CID 60964314
[3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone
CID 62959741

Frequently Asked Questions

What is the IUPAC name of [1-(5-aminopyridine-2-carbonyl)piperidin-3-yl]methylurea?
The IUPAC name of [1-(5-aminopyridine-2-carbonyl)piperidin-3-yl]methylurea (CID 81317323) is [1-(5-aminopyridine-2-carbonyl)piperidin-3-yl]methylurea.
What is the SMILES notation for [1-(5-aminopyridine-2-carbonyl)piperidin-3-yl]methylurea?
The canonical SMILES for [1-(5-aminopyridine-2-carbonyl)piperidin-3-yl]methylurea is NC(=O)NCC1CCCN(C(=O)c2ccc(N)cn2)C1.
What is the InChIKey of [1-(5-aminopyridine-2-carbonyl)piperidin-3-yl]methylurea?
The InChIKey is PQWWNNRBLLAVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c14-10-3-4-11(16-7-10)12(19)18-5-1-2-9(8-18)6-17-13(15)20/h3-4,7,9H,1-2,5-6,8,14H2,(H3,15,17,20).
What are the key properties of [1-(5-aminopyridine-2-carbonyl)piperidin-3-yl]methylurea?
[1-(5-aminopyridine-2-carbonyl)piperidin-3-yl]methylurea has a molecular weight of 277.33 g/mol, XLogP of 0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-aminopyridine-2-carbonyl)piperidin-3-yl]methylurea is sourced from PubChem (CID 81317323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).