2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carboxamide

C14H22N4O — CID 106618863

IUPAC2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carboxamide
SMILESCC(C)N(CC1CCCN1)c1cc(C(N)=O)ccn1
InChIInChI=1S/C14H22N4O/c1-10(2)18(9-12-4-3-6-16-12)13-8-11(14(15)19)5-7-17-13/h5,7-8,10,12,16H,3-4,6,9H2,1-2H3,(H2,15,19)
InChIKeyONOQAZUNPHSDNE-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.15
Rot. Bonds5

About 2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carboxamide

2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carboxamide (PubChem CID 106618863) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carboxamide
PubChem CID106618863
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carboxamide
SMILESCC(C)N(CC1CCCN1)c1cc(C(N)=O)ccn1
InChIInChI=1S/C14H22N4O/c1-10(2)18(9-12-4-3-6-16-12)13-8-11(14(15)19)5-7-17-13/h5,7-8,10,12,16H,3-4,6,9H2,1-2H3,(H2,15,19)
InChIKeyONOQAZUNPHSDNE-UHFFFAOYSA-N
XLogP1.15
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[piperidin-2-ylmethyl(propyl)amino]pyridine-4-carboxamide
CID 106642290
4-[piperidin-2-ylmethyl(propan-2-yl)amino]benzamide
CID 106641317
6-[piperidin-2-ylmethyl(propan-2-yl)amino]pyridine-2-carboxamide
CID 106641492
3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazine-2-carboxamide
CID 106641481
4-chloro-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106618868
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-6-(trifluoromethyl)pyridazin-3-amine
CID 106619125
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1,2,4-triazin-3-amine
CID 83838459
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine
CID 83837370
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 106618801
4-bromo-2-[piperidin-2-ylmethyl(propan-2-yl)amino]benzamide
CID 106641422
2-[ethyl(piperidin-3-yl)amino]pyridine-4-carboxamide
CID 55244733
2-(2-piperidin-2-ylethoxy)pyridine-4-carboxamide
CID 62347860

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carboxamide?
The IUPAC name of 2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carboxamide (CID 106618863) is 2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carboxamide.
What is the SMILES notation for 2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carboxamide?
The canonical SMILES for 2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carboxamide is CC(C)N(CC1CCCN1)c1cc(C(N)=O)ccn1.
What is the InChIKey of 2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carboxamide?
The InChIKey is ONOQAZUNPHSDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10(2)18(9-12-4-3-6-16-12)13-8-11(14(15)19)5-7-17-13/h5,7-8,10,12,16H,3-4,6,9H2,1-2H3,(H2,15,19).
What are the key properties of 2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carboxamide?
2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carboxamide is sourced from PubChem (CID 106618863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).