N-[(3R,4S)-4-methoxy-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide

C19H25N7O2 — CID 167776567

IUPACN-[(3R,4S)-4-methoxy-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide
SMILESCNc1nccc(N2C[C@H](OC)[C@H](NC(=O)N3CCc4cnccc4C3)C2)n1
InChIInChI=1S/C19H25N7O2/c1-20-18-22-7-4-17(24-18)26-11-15(16(12-26)28-2)23-19(27)25-8-5-13-9-21-6-3-14(13)10-25/h3-4,6-7,9,15-16H,5,8,10-12H2,1-2H3,(H,23,27)(H,20,22,24)/t15-,16+/m1/s1
InChIKeyNMUUTYOWANPXDX-CVEARBPZSA-N
MW383.46 g/mol
LogP0.88
Rot. Bonds4

About N-[(3R,4S)-4-methoxy-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide

N-[(3R,4S)-4-methoxy-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide (PubChem CID 167776567) has the molecular formula C19H25N7O2 and a molecular weight of 383.46 g/mol. Its IUPAC name is N-[(3R,4S)-4-methoxy-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-methoxy-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide
PubChem CID167776567
Molecular FormulaC19H25N7O2
Molecular Weight383.46 g/mol
Exact Mass383.21
IUPAC NameN-[(3R,4S)-4-methoxy-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide
SMILESCNc1nccc(N2C[C@H](OC)[C@H](NC(=O)N3CCc4cnccc4C3)C2)n1
InChIInChI=1S/C19H25N7O2/c1-20-18-22-7-4-17(24-18)26-11-15(16(12-26)28-2)23-19(27)25-8-5-13-9-21-6-3-14(13)10-25/h3-4,6-7,9,15-16H,5,8,10-12H2,1-2H3,(H,23,27)(H,20,22,24)/t15-,16+/m1/s1
InChIKeyNMUUTYOWANPXDX-CVEARBPZSA-N
XLogP0.88
TPSA95.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(3R,4S)-4-methoxy-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide with MolForge

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Related Compounds

N-[(3R,4S)-4-methoxy-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]-2-(1-methylindol-2-yl)acetamide
CID 146113462
N-[(3R,4S)-4-methoxy-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]-3-(2-propan-2-ylimidazol-1-yl)propanamide
CID 167966193
N-[(3R,4S)-4-methoxy-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-amine
CID 146153752
1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674543
4-[(3S,4R)-3-methoxy-4-[1-(2-methyl-1,2,4-triazol-3-yl)ethylamino]pyrrolidin-1-yl]-N-methylpyrimidin-2-amine
CID 154799401
[4-(3,4-dimethoxypyrrolidin-1-yl)pyrimidin-2-yl]hydrazine
CID 103542149
4-[(3S,4R)-3-methoxy-4-(pyrazolo[1,5-b]pyridazin-3-ylmethylamino)pyrrolidin-1-yl]-N-methylpyrimidin-2-amine
CID 146112983
2-cyano-N-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]acetamide
CID 146113441
benzyl N-[(3S,4S)-1-(2-aminopyrimidin-4-yl)-4-methoxypyrrolidin-3-yl]carbamate
CID 178108142
1-[4-[2-(methylamino)pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone
CID 80821422
1-[2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 80754186
1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylic acid
CID 70298900

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-methoxy-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide?
The IUPAC name of N-[(3R,4S)-4-methoxy-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide (CID 167776567) is N-[(3R,4S)-4-methoxy-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-methoxy-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-methoxy-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide is CNc1nccc(N2C[C@H](OC)[C@H](NC(=O)N3CCc4cnccc4C3)C2)n1.
What is the InChIKey of N-[(3R,4S)-4-methoxy-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide?
The InChIKey is NMUUTYOWANPXDX-CVEARBPZSA-N. The full InChI is InChI=1S/C19H25N7O2/c1-20-18-22-7-4-17(24-18)26-11-15(16(12-26)28-2)23-19(27)25-8-5-13-9-21-6-3-14(13)10-25/h3-4,6-7,9,15-16H,5,8,10-12H2,1-2H3,(H,23,27)(H,20,22,24)/t15-,16+/m1/s1.
What are the key properties of N-[(3R,4S)-4-methoxy-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide?
N-[(3R,4S)-4-methoxy-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide has a molecular weight of 383.46 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-methoxy-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 167776567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).