N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-(methylamino)pyridine-4-carboxamide

C14H22N4O2 — CID 105071098

IUPACN-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-(methylamino)pyridine-4-carboxamide
SMILESCNc1cnccc1C(=O)NC(C)C(=O)NC(C)(C)C
InChIInChI=1S/C14H22N4O2/c1-9(12(19)18-14(2,3)4)17-13(20)10-6-7-16-8-11(10)15-5/h6-9,15H,1-5H3,(H,17,20)(H,18,19)
InChIKeyRFZSAVISVXMHJF-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.16
Rot. Bonds4

About N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-(methylamino)pyridine-4-carboxamide

N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-(methylamino)pyridine-4-carboxamide (PubChem CID 105071098) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-(methylamino)pyridine-4-carboxamide
PubChem CID105071098
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-(methylamino)pyridine-4-carboxamide
SMILESCNc1cnccc1C(=O)NC(C)C(=O)NC(C)(C)C
InChIInChI=1S/C14H22N4O2/c1-9(12(19)18-14(2,3)4)17-13(20)10-6-7-16-8-11(10)15-5/h6-9,15H,1-5H3,(H,17,20)(H,18,19)
InChIKeyRFZSAVISVXMHJF-UHFFFAOYSA-N
XLogP1.16
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methylamino)-N-(6-methylheptan-2-yl)pyridine-4-carboxamide
CID 105069629
N-[1-(2,4-dichlorophenyl)ethyl]-3-(methylamino)pyridine-4-carboxamide
CID 105068061
N-(dicyclopropylmethyl)-3-(methylamino)pyridine-4-carboxamide
CID 105069656
3-(methylamino)-N-octan-2-ylpyridine-4-carboxamide
CID 105069105
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide
CID 47400529
3-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 66484526
3-amino-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 105069443
2-bromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 103752610
3-(methylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 105069457
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388576
N-ethyl-3-(methylamino)pyridine-4-carboxamide
CID 105068179
2-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide
CID 112687775

Frequently Asked Questions

What is the IUPAC name of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-(methylamino)pyridine-4-carboxamide (CID 105071098) is N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-(methylamino)pyridine-4-carboxamide is CNc1cnccc1C(=O)NC(C)C(=O)NC(C)(C)C.
What is the InChIKey of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-(methylamino)pyridine-4-carboxamide?
The InChIKey is RFZSAVISVXMHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-9(12(19)18-14(2,3)4)17-13(20)10-6-7-16-8-11(10)15-5/h6-9,15H,1-5H3,(H,17,20)(H,18,19).
What are the key properties of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-(methylamino)pyridine-4-carboxamide?
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-(methylamino)pyridine-4-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105071098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).